# generated using pymatgen data_Tc2Ni3P3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72397367 _cell_length_b 5.75087919 _cell_length_c 3.67858293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.84534549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2Ni3P3Ru _chemical_formula_sum 'Tc2 Ni3 P3 Ru1' _cell_volume 105.03106103 _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 Tc Tc0 1 0.00042097 0.41216680 0.50000000 1.0 Tc Tc1 1 0.58825417 0.58783320 0.50000000 1.0 Ni Ni2 1 0.99934492 0.74591815 0.00000000 1.0 Ni Ni3 1 0.25342577 0.25408185 0.00000000 1.0 Ni Ni4 1 0.74786231 0.00000000 0.00000000 1.0 P P5 1 0.33532328 0.66755710 0.00000000 1.0 P P6 1 0.66776718 0.33244290 0.00000000 1.0 P P7 1 0.99940683 1.00000000 0.50000000 1.0 Ru Ru8 1 0.40819457 1.00000000 0.50000000 1.0