# generated using pymatgen data_Ni5(Mo2As3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78430465 _cell_length_b 6.78430465 _cell_length_c 26.35553279 _cell_angle_alpha 76.69563429 _cell_angle_beta 76.69563429 _cell_angle_gamma 28.59308787 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5(Mo2As3)6 _chemical_formula_sum 'Ni5 Mo12 As18' _cell_volume 563.94571166 _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 Ni Ni0 1 0.33239500 0.33239500 0.16730700 1.0 Ni Ni1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.66760500 0.66760500 0.83269300 1.0 Ni Ni3 1 0.66692400 0.66692400 0.33282200 1.0 Ni Ni4 1 0.33307600 0.33307600 0.66717800 1.0 Mo Mo5 1 0.44841300 0.44841300 0.87943700 1.0 Mo Mo6 1 0.11341900 0.11341900 0.20778800 1.0 Mo Mo7 1 0.77974000 0.77974000 0.54257800 1.0 Mo Mo8 1 0.55158700 0.55158700 0.12056300 1.0 Mo Mo9 1 0.22026000 0.22026000 0.45742200 1.0 Mo Mo10 1 0.88658100 0.88658100 0.79221200 1.0 Mo Mo11 1 0.21803600 0.21803600 0.96132200 1.0 Mo Mo12 1 0.88139900 0.88139900 0.29204300 1.0 Mo Mo13 1 0.54728400 0.54728400 0.62623300 1.0 Mo Mo14 1 0.78196400 0.78196400 0.03867800 1.0 Mo Mo15 1 0.45271600 0.45271600 0.37376700 1.0 Mo Mo16 1 0.11860100 0.11860100 0.70795700 1.0 As As17 1 0.08667500 0.08667500 0.89880000 1.0 As As18 1 0.74779900 0.74779900 0.23197000 1.0 As As19 1 0.41432800 0.41432800 0.56569700 1.0 As As20 1 0.91332500 0.91332500 0.10120000 1.0 As As21 1 0.58567200 0.58567200 0.43430300 1.0 As As22 1 0.25220100 0.25220100 0.76803000 1.0 As As23 1 0.79549000 0.79549000 0.88705700 1.0 As As24 1 0.46277500 0.46277500 0.21753900 1.0 As As25 1 0.12779000 0.12779000 0.55263400 1.0 As As26 1 0.20451000 0.20451000 0.11294300 1.0 As As27 1 0.87221000 0.87221000 0.44736600 1.0 As As28 1 0.53722500 0.53722500 0.78246100 1.0 As As29 1 0.40378400 0.40378400 0.98251000 1.0 As As30 1 0.06230600 0.06230600 0.30923100 1.0 As As31 1 0.72842500 0.72842500 0.64337700 1.0 As As32 1 0.59621600 0.59621600 0.01749000 1.0 As As33 1 0.27157500 0.27157500 0.35662300 1.0 As As34 1 0.93769400 0.93769400 0.69076900 1.0