# generated using pymatgen data_LaTiP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37197283 _cell_length_b 9.37197206 _cell_length_c 3.89976042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000181 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiP7Ru12 _chemical_formula_sum 'La1 Ti1 P7 Ru12' _cell_volume 296.64057707 _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 Ti Ti1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60696996 0.71944281 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.28055719 0.88752815 0.50000000 1.0 P P5 1 0.11247185 0.39303004 0.50000000 1.0 P P6 1 0.88593686 0.56860741 0.00000000 1.0 P P7 1 0.43139259 0.31732945 0.00000000 1.0 P P8 1 0.68267055 0.11406314 0.00000000 1.0 Ru Ru9 1 0.56175654 0.96297327 0.50000000 1.0 Ru Ru10 1 0.40121673 0.43824346 0.50000000 1.0 Ru Ru11 1 0.91455588 0.11862999 0.50000000 1.0 Ru Ru12 1 0.20407410 0.08544412 0.50000000 1.0 Ru Ru13 1 0.88137001 0.79592590 0.50000000 1.0 Ru Ru14 1 0.72712274 0.89006124 0.00000000 1.0 Ru Ru15 1 0.10993876 0.83705950 0.00000000 1.0 Ru Ru16 1 0.16294050 0.27287726 0.00000000 1.0 Ru Ru17 1 0.42684783 0.07897566 0.00000000 1.0 Ru Ru18 1 0.92102434 0.34787417 0.00000000 1.0 Ru Ru19 1 0.65212583 0.57315217 0.00000000 1.0 Ru Ru20 1 0.03702673 0.59878327 0.50000000 1.0