# generated using pymatgen data_CaPr(BPd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44462316 _cell_length_b 5.44462238 _cell_length_c 7.55611282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001067 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr(BPd4)2 _chemical_formula_sum 'Ca1 Pr1 B2 Pd8' _cell_volume 193.98341863 _cell_formula_units_Z 1 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 0.00000000 0.50000000 1.0 Pr Pr1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.66666700 0.33333300 0.50000000 1.0 B B3 1 0.33333300 0.66666700 0.50000000 1.0 Pd Pd4 1 0.66666700 0.33333300 0.00000000 1.0 Pd Pd5 1 0.50000000 0.50000000 0.30505533 1.0 Pd Pd6 1 0.50000000 0.00000000 0.30505533 1.0 Pd Pd7 1 0.50000000 0.00000000 0.69494467 1.0 Pd Pd8 1 0.50000000 0.50000000 0.69494467 1.0 Pd Pd9 1 0.00000000 0.50000000 0.69494467 1.0 Pd Pd10 1 0.33333300 0.66666700 0.00000000 1.0 Pd Pd11 1 0.00000000 0.50000000 0.30505533 1.0