# generated using pymatgen
data_NiS2(NO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.69270500
_cell_length_b   6.78550000
_cell_length_c   9.27063641
_cell_angle_alpha   64.90170355
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiS2(NO7)2
_chemical_formula_sum   'Ni2 S4 N4 O28'
_cell_volume   780.02433903
_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  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.87028800  0.69083600  0.55269000  1.0
  S  S3  1  0.37028800  0.30916400  0.94731000  1.0
  S  S4  1  0.12971200  0.30916400  0.44731000  1.0
  S  S5  1  0.62971200  0.69083600  0.05269000  1.0
  N  N6  1  0.18174600  0.77013900  0.58062300  1.0
  N  N7  1  0.68174600  0.22986100  0.91937700  1.0
  N  N8  1  0.81825400  0.22986100  0.41937700  1.0
  N  N9  1  0.31825400  0.77013900  0.08062300  1.0
  O  O10  1  0.76793400  0.64014400  0.57617800  1.0
  O  O11  1  0.26793400  0.35985600  0.92382200  1.0
  O  O12  1  0.23206600  0.35985600  0.42382200  1.0
  O  O13  1  0.73206600  0.64014400  0.07617800  1.0
  O  O14  1  0.84771000  0.09451700  0.53719000  1.0
  O  O15  1  0.34771000  0.90548300  0.96281000  1.0
  O  O16  1  0.15229000  0.90548300  0.46281000  1.0
  O  O17  1  0.65229000  0.09451700  0.03719000  1.0
  O  O18  1  0.93570400  0.62071800  0.68670600  1.0
  O  O19  1  0.43570400  0.37928200  0.81329400  1.0
  O  O20  1  0.06429600  0.37928200  0.31329400  1.0
  O  O21  1  0.56429600  0.62071800  0.18670600  1.0
  O  O22  1  0.91015400  0.78553900  0.39363300  1.0
  O  O23  1  0.41015400  0.21446100  0.10636700  1.0
  O  O24  1  0.08984600  0.21446100  0.60636700  1.0
  O  O25  1  0.58984600  0.78553900  0.89363300  1.0
  O  O26  1  0.39448800  0.74400400  0.46564000  1.0
  O  O27  1  0.89448800  0.25599600  0.03436000  1.0
  O  O28  1  0.60551200  0.25599600  0.53436000  1.0
  O  O29  1  0.10551200  0.74400400  0.96564000  1.0
  O  O30  1  0.36970900  0.88952700  0.52975400  1.0
  O  O31  1  0.86970900  0.11047300  0.97024600  1.0
  O  O32  1  0.63029100  0.11047300  0.47024600  1.0
  O  O33  1  0.13029100  0.88952700  0.02975400  1.0
  O  O34  1  0.49179600  0.77486900  0.42869600  1.0
  O  O35  1  0.99179600  0.22513100  0.07130400  1.0
  O  O36  1  0.50820400  0.22513100  0.57130400  1.0
  O  O37  1  0.00820400  0.77486900  0.92869600  1.0