data_In2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   6.45
_cell_angle_alpha   99.75
_cell_angle_beta   99.75
_cell_angle_gamma   31.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ni
_chemical_formula_sum   'In4 Ni2'
_cell_volume   113.73
_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
  In  In0  1  0.54  0.0  0.58  1.0
  In  In1  1  0.68  0.0  0.76  1.0
  In  In2  1  0.89  0.0  0.53  1.0
  In  In3  1  0.33  0.0  0.82  1.0
  Ni  Ni4  1  0.1  0.0  0.04  1.0
  Ni  Ni5  1  0.12  0.0  0.31  1.0

data_In2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.16
_cell_length_b   5.89
_cell_length_c   6.45
_cell_angle_alpha   99.75
_cell_angle_beta   90.0
_cell_angle_gamma   105.55
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In2Ni
_chemical_formula_sum   'In4 Ni2'
_cell_volume   113.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.07  0.09  1.0
  In  In1  2  0.0  0.28  0.85  1.0
  Ni  Ni2  2  0.0  0.49  0.37  1.0

In In In In Ni Ni
In In In In Ni Ni 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 5 + o o 3 4 o o + 4 5 o o o 