# generated using pymatgen data_Ni2As2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40585319 _cell_length_b 9.66100357 _cell_length_c 5.40585979 _cell_angle_alpha 96.83952543 _cell_angle_beta 106.86539069 _cell_angle_gamma 96.83947970 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2As2O7 _chemical_formula_sum 'Ni4 As4 O14' _cell_volume 264.73031080 _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 Ni Ni0 1 0.31190600 0.75000000 0.68809300 1.0 Ni Ni1 1 0.68809400 0.25000000 0.31190700 1.0 Ni Ni2 1 0.31189800 0.25000000 0.68810100 1.0 Ni Ni3 1 0.68810200 0.75000000 0.31189900 1.0 As As4 1 0.75752000 0.05169400 0.75751900 1.0 As As5 1 0.75752000 0.55169400 0.75751900 1.0 As As6 1 0.24247900 0.44830500 0.24247900 1.0 As As7 1 0.24248000 0.94830500 0.24247900 1.0 O O8 1 0.00000000 0.00000000 0.00000000 1.0 O O9 1 0.00000000 0.50000000 0.00000000 1.0 O O10 1 0.40828100 0.11353500 0.40828800 1.0 O O11 1 0.40828900 0.61353500 0.40828100 1.0 O O12 1 0.59171000 0.38646400 0.59171800 1.0 O O13 1 0.59171800 0.88646500 0.59171100 1.0 O O14 1 0.59393100 0.14494700 0.92993400 1.0 O O15 1 0.59393200 0.64494300 0.92994100 1.0 O O16 1 0.07006500 0.35505300 0.40607000 1.0 O O17 1 0.07005800 0.85505600 0.40606900 1.0 O O18 1 0.40606800 0.35505700 0.07005700 1.0 O O19 1 0.40606900 0.85505300 0.07006500 1.0 O O20 1 0.92994300 0.14494400 0.59393100 1.0 O O21 1 0.92993500 0.64494700 0.59393000 1.0