# generated using pymatgen
data_ReNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55212253
_cell_length_b   5.55212253
_cell_length_c   4.74782324
_cell_angle_alpha   87.77589124
_cell_angle_beta   87.77589124
_cell_angle_gamma   63.27925730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiO4
_chemical_formula_sum   'Re2 Ni2 O8'
_cell_volume   130.59119038
_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
  Re  Re0  1  0.72886400  0.27113600  0.50000000  1.0
  Re  Re1  1  0.27113600  0.72886400  0.50000000  1.0
  Ni  Ni2  1  0.76170600  0.76170600  0.00863700  1.0
  Ni  Ni3  1  0.23829400  0.23829400  0.99136300  1.0
  O  O4  1  0.90973500  0.90973500  0.31850400  1.0
  O  O5  1  0.09026500  0.09026500  0.68149600  1.0
  O  O6  1  0.39020500  0.39020500  0.29049900  1.0
  O  O7  1  0.60979500  0.60979500  0.70950100  1.0
  O  O8  1  0.39801900  0.88222200  0.21601200  1.0
  O  O9  1  0.60198100  0.11777800  0.78398800  1.0
  O  O10  1  0.11777800  0.60198100  0.78398800  1.0
  O  O11  1  0.88222200  0.39801900  0.21601200  1.0