# generated using pymatgen data_LaHfP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37950998 _cell_length_b 9.37950868 _cell_length_c 3.91599691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999674 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfP7Ru12 _chemical_formula_sum 'La1 Hf1 P7 Ru12' _cell_volume 298.35493484 _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 La La0 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60667230 0.72005700 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.27994300 0.88661530 0.50000000 1.0 P P5 1 0.11338470 0.39332770 0.50000000 1.0 P P6 1 0.88653108 0.56967373 0.00000000 1.0 P P7 1 0.43032627 0.31685635 0.00000000 1.0 P P8 1 0.68314365 0.11346892 0.00000000 1.0 Ru Ru9 1 0.56145037 0.96190152 0.50000000 1.0 Ru Ru10 1 0.40045116 0.43854963 0.50000000 1.0 Ru Ru11 1 0.91493440 0.11939516 0.50000000 1.0 Ru Ru12 1 0.20446077 0.08506560 0.50000000 1.0 Ru Ru13 1 0.88060484 0.79553923 0.50000000 1.0 Ru Ru14 1 0.72761307 0.89108032 0.00000000 1.0 Ru Ru15 1 0.10891968 0.83653175 0.00000000 1.0 Ru Ru16 1 0.16346825 0.27238693 0.00000000 1.0 Ru Ru17 1 0.42629108 0.07762760 0.00000000 1.0 Ru Ru18 1 0.92237240 0.34866549 0.00000000 1.0 Ru Ru19 1 0.65133451 0.57370892 0.00000000 1.0 Ru Ru20 1 0.03809848 0.59954884 0.50000000 1.0