# generated using pymatgen data_NaCa(PrB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16815332 _cell_length_b 7.16815452 _cell_length_c 5.86359886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.48824065 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa(PrB12)2 _chemical_formula_sum 'Na1 Ca1 Pr2 B24' _cell_volume 284.02528325 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca1 1 0.50000000 0.50000000 0.00000000 1.0 Pr Pr2 1 0.75187617 0.24812383 0.50000000 1.0 Pr Pr3 1 0.24812383 0.75187617 0.50000000 1.0 B B4 1 0.17605255 0.32475044 0.65001375 1.0 B B5 1 0.92479931 0.57503523 0.14846993 1.0 B B6 1 0.67524956 0.82394745 0.65001375 1.0 B B7 1 0.42496477 0.07520069 0.14846993 1.0 B B8 1 0.17605255 0.32475044 0.34998625 1.0 B B9 1 0.92479931 0.57503523 0.85153007 1.0 B B10 1 0.67524956 0.82394745 0.34998625 1.0 B B11 1 0.42496477 0.07520069 0.85153007 1.0 B B12 1 0.39952620 0.39952620 0.50000000 1.0 B B13 1 0.14877792 0.64982023 0.00000000 1.0 B B14 1 0.89904444 0.89904444 0.50000000 1.0 B B15 1 0.64982023 0.14877792 0.00000000 1.0 B B16 1 0.32475044 0.17605255 0.65001375 1.0 B B17 1 0.07520069 0.42496477 0.14846993 1.0 B B18 1 0.82394745 0.67524956 0.65001375 1.0 B B19 1 0.57503523 0.92479931 0.14846993 1.0 B B20 1 0.10095556 0.10095556 0.50000000 1.0 B B21 1 0.85122208 0.35017977 0.00000000 1.0 B B22 1 0.60047380 0.60047380 0.50000000 1.0 B B23 1 0.35017977 0.85122208 0.00000000 1.0 B B24 1 0.32475044 0.17605255 0.34998625 1.0 B B25 1 0.07520069 0.42496477 0.85153007 1.0 B B26 1 0.82394745 0.67524956 0.34998625 1.0 B B27 1 0.57503523 0.92479931 0.85153007 1.0