data_In2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.34
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiW
_chemical_formula_sum   'In2 Ni1 W1'
_cell_volume   72.05
_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  0.61  0.0  0.25  1.0
  In  In1  1  0.52  0.17  0.55  1.0
  Ni  Ni2  1  0.69  0.0  0.81  1.0
  W  W3  1  0.14  0.17  0.02  1.0

data_In2NiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.34
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiW
_chemical_formula_sum   'In2 Ni1 W1'
_cell_volume   72.05
_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  0.52  0.17  0.55  1.0
  In  In1  1  0.61  0.0  0.25  1.0
  Ni  Ni2  1  0.69  0.0  0.81  1.0
  W  W3  1  0.14  0.17  0.02  1.0

In In Ni W
In In Ni W 0 3 o o o 0 1 o o o 1 2 o o o 2 3 + o + 