# generated using pymatgen data_NdTmP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37313850 _cell_length_b 9.37313780 _cell_length_c 3.93692578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000155 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTmP7Ru12 _chemical_formula_sum 'Nd1 Tm1 P7 Ru12' _cell_volume 299.54211316 _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 Nd Nd0 1 0.33333300 0.66666700 0.00000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60484106 0.71812441 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.28187559 0.88671565 0.50000000 1.0 P P5 1 0.11328435 0.39515894 0.50000000 1.0 P P6 1 0.88642991 0.57286891 0.00000000 1.0 P P7 1 0.42713109 0.31356101 0.00000000 1.0 P P8 1 0.68643899 0.11357009 0.00000000 1.0 Ru Ru9 1 0.55979036 0.95475720 0.50000000 1.0 Ru Ru10 1 0.39496884 0.44020964 0.50000000 1.0 Ru Ru11 1 0.91444834 0.11978576 0.50000000 1.0 Ru Ru12 1 0.20533742 0.08555166 0.50000000 1.0 Ru Ru13 1 0.88021424 0.79466258 0.50000000 1.0 Ru Ru14 1 0.72872070 0.89175269 0.00000000 1.0 Ru Ru15 1 0.10824731 0.83696701 0.00000000 1.0 Ru Ru16 1 0.16303299 0.27127930 0.00000000 1.0 Ru Ru17 1 0.42363300 0.06954121 0.00000000 1.0 Ru Ru18 1 0.93045879 0.35409379 0.00000000 1.0 Ru Ru19 1 0.64590621 0.57636700 0.00000000 1.0 Ru Ru20 1 0.04524280 0.60503116 0.50000000 1.0