# generated using pymatgen data_BaCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61991037 _cell_length_b 7.61991037 _cell_length_c 4.99118008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.89730060 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd3 _chemical_formula_sum 'Ba2 Cd6' _cell_volume 251.23613535 _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 0.33322323 0.66677677 0.25000000 1.0 Ba Ba1 1 0.66677677 0.33322323 0.75000000 1.0 Cd Cd2 1 0.13595961 0.27237796 0.75000000 1.0 Cd Cd3 1 0.72762204 0.86404039 0.75000000 1.0 Cd Cd4 1 0.13615750 0.86384250 0.75000000 1.0 Cd Cd5 1 0.86404039 0.72762204 0.25000000 1.0 Cd Cd6 1 0.27237796 0.13595961 0.25000000 1.0 Cd Cd7 1 0.86384250 0.13615750 0.25000000 1.0