# generated using pymatgen data_CaMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40554104 _cell_length_b 3.67669085 _cell_length_c 17.78776598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2 _chemical_formula_sum 'Ca4 Mg8' _cell_volume 353.52301333 _cell_formula_units_Z 4 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 0.50000000 0.50000000 0.39370505 1.0 Ca Ca1 1 0.50000000 -0.00000000 0.21129532 1.0 Ca Ca2 1 0.50000000 -0.00000000 0.89370505 1.0 Ca Ca3 1 0.50000000 0.50000000 0.71129532 1.0 Mg Mg4 1 -0.00000000 -0.00000000 0.01195265 1.0 Mg Mg5 1 0.00000000 0.50000000 0.16202464 1.0 Mg Mg6 1 -0.00000000 -0.00000000 0.33151651 1.0 Mg Mg7 1 0.50000000 0.50000000 0.05617283 1.0 Mg Mg8 1 -0.00000000 0.50000000 0.51195265 1.0 Mg Mg9 1 0.00000000 -0.00000000 0.66202464 1.0 Mg Mg10 1 -0.00000000 0.50000000 0.83151651 1.0 Mg Mg11 1 0.50000000 -0.00000000 0.55617283 1.0