# generated using pymatgen data_Th2Ni9Mo3P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17886232 _cell_length_b 9.17886323 _cell_length_c 3.80501166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000027 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ni9Mo3P7 _chemical_formula_sum 'Th2 Ni9 Mo3 P7' _cell_volume 277.62871137 _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 Th Th0 1 0.33333300 0.66666700 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.03189675 0.26578720 0.00000000 1.0 Ni Ni3 1 0.73421280 0.76610855 0.00000000 1.0 Ni Ni4 1 0.23389145 0.96810325 0.00000000 1.0 Ni Ni5 1 0.53551108 0.05283561 0.00000000 1.0 Ni Ni6 1 0.94716439 0.48267547 0.00000000 1.0 Ni Ni7 1 0.51732453 0.46448892 0.00000000 1.0 Ni Ni8 1 0.60549671 0.88814788 0.50000000 1.0 Ni Ni9 1 0.11185212 0.71734683 0.50000000 1.0 Ni Ni10 1 0.28265317 0.39450329 0.50000000 1.0 Mo Mo11 1 0.77351792 0.22677994 0.50000000 1.0 Mo Mo12 1 0.77322006 0.54673798 0.50000000 1.0 Mo Mo13 1 0.45326202 0.22648208 0.50000000 1.0 P P14 1 0.76758082 0.03045958 0.00000000 1.0 P P15 1 0.96954042 0.73712224 0.00000000 1.0 P P16 1 0.26287776 0.23241918 0.00000000 1.0 P P17 1 0.37740619 0.93720733 0.50000000 1.0 P P18 1 0.06279267 0.44019886 0.50000000 1.0 P P19 1 0.55980114 0.62259381 0.50000000 1.0 P P20 1 0.66666700 0.33333300 0.00000000 1.0