# generated using pymatgen data_CaMg6Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18803500 _cell_length_b 6.50713600 _cell_length_c 11.29941600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Cr _chemical_formula_sum 'Ca2 Mg12 Cr2' _cell_volume 381.45980189 _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 0.50000000 0.00000000 0.16622800 1.0 Ca Ca1 1 0.50000000 0.50000000 0.66622800 1.0 Mg Mg2 1 0.50000000 0.24633700 0.41802600 1.0 Mg Mg3 1 0.50000000 0.75366300 0.41802600 1.0 Mg Mg4 1 0.00000000 0.73648600 0.08332800 1.0 Mg Mg5 1 0.00000000 0.26351400 0.08332800 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33733000 1.0 Mg Mg7 1 0.00000000 0.50000000 0.32841400 1.0 Mg Mg8 1 0.50000000 0.74633700 0.91802600 1.0 Mg Mg9 1 0.50000000 0.25366300 0.91802600 1.0 Mg Mg10 1 0.00000000 0.23648600 0.58332800 1.0 Mg Mg11 1 0.00000000 0.76351400 0.58332800 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83733000 1.0 Mg Mg13 1 0.00000000 0.00000000 0.82841400 1.0 Cr Cr14 1 0.50000000 0.50000000 0.16531500 1.0 Cr Cr15 1 0.50000000 0.00000000 0.66531500 1.0