# generated using pymatgen data_BaCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42847398 _cell_length_b 7.42847398 _cell_length_c 5.32422400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.60993470 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd3 _chemical_formula_sum 'Ba2 Cd6' _cell_volume 257.92922939 _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 Ba Ba0 1 0.33276000 0.66724000 0.25000000 1.0 Ba Ba1 1 0.66724000 0.33276000 0.75000000 1.0 Cd Cd2 1 0.14055200 0.28171800 0.75000000 1.0 Cd Cd3 1 0.71828200 0.85944800 0.75000000 1.0 Cd Cd4 1 0.14008400 0.85991600 0.75000000 1.0 Cd Cd5 1 0.85944800 0.71828200 0.25000000 1.0 Cd Cd6 1 0.28171800 0.14055200 0.25000000 1.0 Cd Cd7 1 0.85991600 0.14008400 0.25000000 1.0