# generated using pymatgen data_LiPrP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38384736 _cell_length_b 9.38384645 _cell_length_c 3.89804223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000139 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPrP7Ru12 _chemical_formula_sum 'Li1 Pr1 P7 Ru12' _cell_volume 297.26172488 _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 Li Li0 1 0.66666700 0.33333300 0.50000000 1.0 Pr Pr1 1 0.33333300 0.66666700 0.00000000 1.0 P P2 1 0.60585414 0.71033870 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.28966130 0.89551545 0.50000000 1.0 P P5 1 0.10448455 0.39414586 0.50000000 1.0 P P6 1 0.89665924 0.58691797 0.00000000 1.0 P P7 1 0.41308203 0.30974127 0.00000000 1.0 P P8 1 0.69025873 0.10334076 0.00000000 1.0 Ru Ru9 1 0.56129492 0.95428596 0.50000000 1.0 Ru Ru10 1 0.39299204 0.43870508 0.50000000 1.0 Ru Ru11 1 0.91096031 0.11619649 0.50000000 1.0 Ru Ru12 1 0.20523518 0.08903969 0.50000000 1.0 Ru Ru13 1 0.88380351 0.79476482 0.50000000 1.0 Ru Ru14 1 0.72610884 0.87833604 0.00000000 1.0 Ru Ru15 1 0.12166396 0.84777180 0.00000000 1.0 Ru Ru16 1 0.15222820 0.27389116 0.00000000 1.0 Ru Ru17 1 0.43532136 0.08128456 0.00000000 1.0 Ru Ru18 1 0.91871544 0.35403780 0.00000000 1.0 Ru Ru19 1 0.64596220 0.56467864 0.00000000 1.0 Ru Ru20 1 0.04571404 0.60700796 0.50000000 1.0