data_In2NiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   140.29
_cell_angle_beta   114.41
_cell_angle_gamma   79.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiBr
_chemical_formula_sum   'In2 Ni1 Br1'
_cell_volume   97.64
_cell_formula_units_Z   1
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
  In  In1  1  0.89  0.0  0.75  1.0
  In  In2  1  0.0  0.02  0.53  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.28  1.0

data_In2NiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   65.59
_cell_angle_beta   70.14
_cell_angle_gamma   70.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiBr
_chemical_formula_sum   'In2 Ni1 Br1'
_cell_volume   97.64
_cell_formula_units_Z   1
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
  In  In0  1  0.0  0.11  0.75  1.0
  In  In1  1  0.02  -0.0  0.51  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.28  1.0

In In Ni Br