data_NbIn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   3.02
_cell_angle_alpha   100.04
_cell_angle_beta   100.04
_cell_angle_gamma   116.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2W
_chemical_formula_sum   'Nb1 In2 W1'
_cell_volume   84.72
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.01  0.54  0.42  1.0
  In  In1  1  0.01  0.46  0.42  1.0
  W  W3  1  0.02  0.0  0.0  1.0

data_NbIn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   116.94
_cell_angle_beta   100.04
_cell_angle_gamma   100.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2W
_chemical_formula_sum   'Nb1 In2 W1'
_cell_volume   84.72
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.42  0.01  0.46  1.0
  In  In2  1  0.42  0.01  0.54  1.0
  W  W3  1  -0.0  0.02  0.0  1.0

Nb In In W
Nb In In W 0 3 o o o 1 2 o o o 