# generated using pymatgen data_CaMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68728817 _cell_length_b 3.86058183 _cell_length_c 17.19845422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg _chemical_formula_sum 'Ca6 Mg6' _cell_volume 377.61341206 _cell_formula_units_Z 6 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 0.19039514 1.0 Ca Ca1 1 0.50000000 0.50000000 0.35823801 1.0 Ca Ca2 1 0.50000000 0.50000000 0.04295929 1.0 Ca Ca3 1 0.00000000 -0.00000000 0.69039514 1.0 Ca Ca4 1 0.50000000 0.00000000 0.85823801 1.0 Ca Ca5 1 0.50000000 0.00000000 0.54295929 1.0 Mg Mg6 1 0.00000000 0.50000000 0.50885773 1.0 Mg Mg7 1 0.00000000 -0.00000000 0.36247032 1.0 Mg Mg8 1 0.50000000 -0.00000000 0.20374551 1.0 Mg Mg9 1 0.00000000 -0.00000000 0.00885773 1.0 Mg Mg10 1 0.00000000 0.50000000 0.86247032 1.0 Mg Mg11 1 0.50000000 0.50000000 0.70374551 1.0