# generated using pymatgen data_Ni2P3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07715031 _cell_length_b 7.07715031 _cell_length_c 8.64638737 _cell_angle_alpha 70.52147999 _cell_angle_beta 70.52147999 _cell_angle_gamma 70.88277639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2P3O11 _chemical_formula_sum 'Ni4 P6 O22' _cell_volume 373.33755170 _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 0.88397400 0.36671400 0.96135100 1.0 Ni Ni1 1 0.63328600 0.11602600 0.53864900 1.0 Ni Ni2 1 0.36671400 0.88397400 0.46135100 1.0 Ni Ni3 1 0.11602600 0.63328600 0.03864900 1.0 P P4 1 0.45807300 0.32387300 0.20758700 1.0 P P5 1 0.32387300 0.45807300 0.70758700 1.0 P P6 1 0.67612700 0.54192700 0.29241300 1.0 P P7 1 0.54192700 0.67612700 0.79241300 1.0 P P8 1 0.04392600 0.95607400 0.25000000 1.0 P P9 1 0.95607400 0.04392600 0.75000000 1.0 O O10 1 0.36390800 0.72459600 0.94523000 1.0 O O11 1 0.95523100 0.25417000 0.77251900 1.0 O O12 1 0.75473900 0.61983000 0.82427000 1.0 O O13 1 0.03261800 0.12705400 0.08533900 1.0 O O14 1 0.04476900 0.74583000 0.22748100 1.0 O O15 1 0.24526100 0.38017000 0.17573000 1.0 O O16 1 0.96738200 0.87294600 0.91466100 1.0 O O17 1 0.25417000 0.95523100 0.27251900 1.0 O O18 1 0.14566000 0.47184400 0.87246100 1.0 O O19 1 0.12705400 0.03261800 0.58533900 1.0 O O20 1 0.47184400 0.14566000 0.37246100 1.0 O O21 1 0.27540400 0.63609200 0.55477000 1.0 O O22 1 0.38017000 0.24526100 0.67573000 1.0 O O23 1 0.85434000 0.52815600 0.12753900 1.0 O O24 1 0.48375200 0.51624800 0.25000000 1.0 O O25 1 0.51624800 0.48375200 0.75000000 1.0 O O26 1 0.63609200 0.27540400 0.05477000 1.0 O O27 1 0.61983000 0.75473900 0.32427000 1.0 O O28 1 0.72459600 0.36390800 0.44523000 1.0 O O29 1 0.52815600 0.85434000 0.62753900 1.0 O O30 1 0.87294600 0.96738200 0.41466100 1.0 O O31 1 0.74583000 0.04476900 0.72748100 1.0