Galaxy clusters are the products of structure formation through myriad physical processes that affect their growth and evolution throughout cosmic history. As a result, the matter distribution within galaxy clusters, or their shape, is influenced by cosmology and astrophysical processes, in particular the accretion of new material due to gravity. We introduce an analysis method for investigating the three-dimensional triaxial shapes of galaxy clusters from the Cluster HEritage project with -- Mass Assembly and Thermodynamics at the Endpoint of structure formation (CHEX-MATE). In this paper, the first in a CHEX-MATE triaxial analysis series, we focus on utilizing X-ray data from and Sunyaev-Zel'dovich (SZ) effect maps from and the Atacama Cosmology Telescope to obtain a three-dimensional triaxial description of the intracluster medium (ICM) gas. We present the forward modeling formalism of our technique, which projects a triaxial ellipsoidal model for the gas density and pressure, to be compared directly with the observed two-dimensional distributions in X-rays and the SZ effect. A Markov chain Monte Carlo is used to estimate the posterior distributions of the model parameters. Using mock X-ray and SZ observations of a smooth model, we demonstrate that the method can reliably recover the true parameter values. In addition, we applied the analysis to reconstruct the gas shape from the observed data of one CHEX-MATE galaxy cluster, PSZ2 G313.33+61.13 (Abell 1689), to illustrate the technique. The inferred parameters are in agreement with previous analyses for the cluster, and our results indicate that the geometrical properties, including the axial ratios of the ICM distribution, are constrained to within a few percent. With a much better precision than previous studies, we thus further establish that Abell 1689 is significantly elongated along the line of sight, resulting in its exceptional gravitational lensing properties.
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