# generated using pymatgen data_Mo2As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27693013 _cell_length_b 6.89642867 _cell_length_c 8.19878777 _cell_angle_alpha 79.07424059 _cell_angle_beta 78.47230351 _cell_angle_gamma 76.25614563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2As3 _chemical_formula_sum 'Mo4 As6' _cell_volume 174.37427983 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.24815536 0.87530107 0.62838620 1.0 Mo Mo1 1 0.75184464 0.12469893 0.37161380 1.0 Mo Mo2 1 0.35062533 0.43296154 0.86578880 1.0 Mo Mo3 1 0.64937467 0.56703846 0.13421120 1.0 As As4 1 0.12844461 0.78944535 0.95366642 1.0 As As5 1 0.87155539 0.21055465 0.04633358 1.0 As As6 1 0.41313376 0.85824102 0.31549045 1.0 As As7 1 0.58686624 0.14175898 0.68450955 1.0 As As8 1 0.10469642 0.41982919 0.37077597 1.0 As As9 1 0.89530358 0.58017081 0.62922403 1.0