# generated using pymatgen data_Tm2Ni3P6Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78122128 _cell_length_b 10.63891583 _cell_length_c 12.23259057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Ni3P6Rh7 _chemical_formula_sum 'Tm4 Ni6 P12 Rh14' _cell_volume 492.09381487 _cell_formula_units_Z 2 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 Tm Tm0 1 0.25000000 0.58534510 0.70830133 1.0 Tm Tm1 1 0.25000000 0.91465490 0.20830133 1.0 Tm Tm2 1 0.75000000 0.41388983 0.29385236 1.0 Tm Tm3 1 0.75000000 0.08611017 0.79385236 1.0 Ni Ni4 1 0.75000000 0.11011138 0.30298082 1.0 Ni Ni5 1 0.75000000 0.38988862 0.80298082 1.0 Ni Ni6 1 0.25000000 0.46110794 0.93281286 1.0 Ni Ni7 1 0.25000000 0.03889206 0.43281286 1.0 Ni Ni8 1 0.75000000 0.53308699 0.06272437 1.0 Ni Ni9 1 0.75000000 0.96691301 0.56272437 1.0 P P10 1 0.25000000 0.41616157 0.10909453 1.0 P P11 1 0.25000000 0.08383843 0.60909453 1.0 P P12 1 0.75000000 0.57497345 0.88687212 1.0 P P13 1 0.75000000 0.92502655 0.38687212 1.0 P P14 1 0.25000000 0.26858051 0.87361124 1.0 P P15 1 0.25000000 0.23141949 0.37361124 1.0 P P16 1 0.75000000 0.72793766 0.12693608 1.0 P P17 1 0.75000000 0.77206234 0.62693608 1.0 P P18 1 0.25000000 0.59821614 0.38649182 1.0 P P19 1 0.25000000 0.90178386 0.88649182 1.0 P P20 1 0.75000000 0.40333905 0.61857270 1.0 P P21 1 0.75000000 0.09666095 0.11857270 1.0 Rh Rh22 1 0.25000000 0.71089322 0.98128409 1.0 Rh Rh23 1 0.25000000 0.78910678 0.48128409 1.0 Rh Rh24 1 0.75000000 0.28442966 0.01271003 1.0 Rh Rh25 1 0.75000000 0.21557034 0.51271003 1.0 Rh Rh26 1 0.25000000 0.41002379 0.48138711 1.0 Rh Rh27 1 0.25000000 0.08997621 0.98138711 1.0 Rh Rh28 1 0.75000000 0.59321278 0.52177678 1.0 Rh Rh29 1 0.75000000 0.90678722 0.02177678 1.0 Rh Rh30 1 0.25000000 0.22308028 0.18500706 1.0 Rh Rh31 1 0.25000000 0.27691972 0.68500706 1.0 Rh Rh32 1 0.75000000 0.77130156 0.81849636 1.0 Rh Rh33 1 0.75000000 0.72869844 0.31849636 1.0 Rh Rh34 1 0.25000000 0.89213428 0.69708634 1.0 Rh Rh35 1 0.25000000 0.60786572 0.19708634 1.0