data_ReNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.75
_cell_angle_alpha   92.22
_cell_angle_beta   92.22
_cell_angle_gamma   63.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiO4
_chemical_formula_sum   'Re2 Ni2 O8'
_cell_volume   130.59
_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  0.73  0.33  0.0  1.0
  Re  Re1  1  0.73  0.67  0.0  1.0
  Ni  Ni2  1  0.09  0.0  0.33  1.0
  Ni  Ni3  1  0.14  0.0  0.41  1.0
  O  O4  1  0.56  0.0  0.86  1.0
  O  O5  1  0.68  0.0  0.88  1.0
  O  O6  1  0.64  0.0  0.99  1.0
  O  O7  1  0.59  0.0  0.75  1.0
  O  O8  1  0.99  0.59  0.35  1.0
  O  O9  1  0.25  0.41  0.4  1.0
  O  O10  1  0.25  0.59  0.4  1.0
  O  O11  1  0.99  0.41  0.35  1.0

data_ReNiO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   63.28
_cell_angle_beta   87.78
_cell_angle_gamma   87.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiO4
_chemical_formula_sum   'Re2 Ni2 O8'
_cell_volume   130.59
_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  -0.0  0.27  0.67  1.0
  Re  Re1  1  -0.0  0.27  0.33  1.0
  Ni  Ni2  1  0.33  0.91  0.0  1.0
  Ni  Ni3  1  0.41  0.86  0.0  1.0
  O  O4  1  0.35  0.01  0.41  1.0
  O  O5  1  0.35  0.01  0.59  1.0
  O  O6  1  0.4  0.75  0.41  1.0
  O  O7  1  0.4  0.75  0.59  1.0
  O  O8  1  0.75  0.41  0.0  1.0
  O  O9  1  0.86  0.44  0.0  1.0
  O  O10  1  0.88  0.32  0.0  1.0
  O  O11  1  0.99  0.36  0.0  1.0

Re Re Ni Ni O O O O O O O O