# generated using pymatgen data_CaMg6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08892100 _cell_length_b 6.39018900 _cell_length_c 11.10503600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Mo _chemical_formula_sum 'Ca2 Mg12 Mo2' _cell_volume 361.12652018 _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 Ca Ca0 1 0.00000000 0.50000000 0.32610100 1.0 Ca Ca1 1 0.00000000 0.00000000 0.82610100 1.0 Mg Mg2 1 0.00000000 0.26549400 0.08632200 1.0 Mg Mg3 1 0.00000000 0.73450600 0.08632200 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33474400 1.0 Mg Mg5 1 0.50000000 0.75601500 0.41978600 1.0 Mg Mg6 1 0.50000000 0.24398500 0.41978600 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16541000 1.0 Mg Mg8 1 0.00000000 0.76549400 0.58632200 1.0 Mg Mg9 1 0.00000000 0.23450600 0.58632200 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83474400 1.0 Mg Mg11 1 0.50000000 0.25601500 0.91978600 1.0 Mg Mg12 1 0.50000000 0.74398500 0.91978600 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66541000 1.0 Mo Mo14 1 0.50000000 0.50000000 0.16153000 1.0 Mo Mo15 1 0.50000000 0.00000000 0.66153000 1.0