# generated using pymatgen data_TmCd2(Ni10P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85282891 _cell_length_b 7.85282916 _cell_length_c 7.85282937 _cell_angle_alpha 60.00000733 _cell_angle_beta 60.00000626 _cell_angle_gamma 60.00000761 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCd2(Ni10P3)2 _chemical_formula_sum 'Tm1 Cd2 Ni20 P6' _cell_volume 342.42346477 _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 Tm Tm0 1 0.00000000 0.00000000 0.00000000 1.0 Cd Cd1 1 0.25000000 0.25000000 0.25000000 1.0 Cd Cd2 1 0.75000000 0.75000000 0.75000000 1.0 Ni Ni3 1 0.38529906 0.38529906 0.84410183 1.0 Ni Ni4 1 0.61470194 0.61470194 0.61470094 1.0 Ni Ni5 1 1.00000000 0.35076162 1.00000000 1.0 Ni Ni6 1 0.35076162 1.00000000 1.00000000 1.0 Ni Ni7 1 1.00000000 0.35076162 0.64923838 1.0 Ni Ni8 1 0.84410183 0.38529906 0.38529806 1.0 Ni Ni9 1 0.35076162 0.00000000 0.64923838 1.0 Ni Ni10 1 1.00000000 1.00000000 0.35076162 1.0 Ni Ni11 1 0.64923838 0.35076162 1.00000000 1.0 Ni Ni12 1 0.00000000 0.64923838 0.35076162 1.0 Ni Ni13 1 0.00000000 0.00000000 0.64923838 1.0 Ni Ni14 1 0.35076162 0.64923838 0.00000000 1.0 Ni Ni15 1 0.64923838 0.00000000 0.00000000 1.0 Ni Ni16 1 0.00000000 0.64923838 0.00000000 1.0 Ni Ni17 1 0.38529906 0.84410283 0.38529906 1.0 Ni Ni18 1 0.61470094 0.61470194 0.15589717 1.0 Ni Ni19 1 0.61470094 0.15589817 0.61470094 1.0 Ni Ni20 1 0.15589817 0.61470194 0.61470194 1.0 Ni Ni21 1 0.38529806 0.38529906 0.38529806 1.0 Ni Ni22 1 0.64923838 0.00000000 0.35076162 1.0 P P23 1 0.26516134 0.26516134 0.73483866 1.0 P P24 1 0.73483866 0.73483866 0.26516134 1.0 P P25 1 0.73483866 0.26516134 0.26516134 1.0 P P26 1 0.26516134 0.73483866 0.73483866 1.0 P P27 1 0.26516134 0.73483866 0.26516134 1.0 P P28 1 0.73483866 0.26516134 0.73483866 1.0