# generated using pymatgen data_NiAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94183900 _cell_length_b 5.81342400 _cell_length_c 10.22486200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAsO4 _chemical_formula_sum 'Ni4 As4 O16' _cell_volume 293.75011609 _cell_formula_units_Z 4 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 0.46024200 0.75000000 0.23133900 1.0 Ni Ni1 1 0.96024200 0.25000000 0.26866100 1.0 Ni Ni2 1 0.03975800 0.75000000 0.73133900 1.0 Ni Ni3 1 0.53975800 0.25000000 0.76866100 1.0 As As4 1 0.42119200 0.25000000 0.09268400 1.0 As As5 1 0.92119200 0.75000000 0.40731600 1.0 As As6 1 0.07880800 0.25000000 0.59268400 1.0 As As7 1 0.57880800 0.75000000 0.90731600 1.0 O O8 1 0.66611000 0.75000000 0.06969100 1.0 O O9 1 0.76617500 0.25000000 0.10469600 1.0 O O10 1 0.25018000 0.02871800 0.17391500 1.0 O O11 1 0.25018000 0.47128200 0.17391500 1.0 O O12 1 0.75018000 0.52871800 0.32608500 1.0 O O13 1 0.75018000 0.97128200 0.32608500 1.0 O O14 1 0.26617500 0.75000000 0.39530400 1.0 O O15 1 0.16611000 0.25000000 0.43030900 1.0 O O16 1 0.83389000 0.75000000 0.56969100 1.0 O O17 1 0.73382500 0.25000000 0.60469600 1.0 O O18 1 0.24982000 0.02871800 0.67391500 1.0 O O19 1 0.24982000 0.47128200 0.67391500 1.0 O O20 1 0.74982000 0.52871800 0.82608500 1.0 O O21 1 0.74982000 0.97128200 0.82608500 1.0 O O22 1 0.23382500 0.75000000 0.89530400 1.0 O O23 1 0.33389000 0.25000000 0.93030900 1.0