data_InWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.09
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InWCl2
_chemical_formula_sum   'In1 W1 Cl2'
_cell_volume   83.81
_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  In2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.44  0.0  0.41  1.0
  Cl  Cl0  1  0.43  0.05  0.82  1.0
  Cl  Cl1  1  0.45  0.05  0.99  1.0

data_InWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.09
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InWCl2
_chemical_formula_sum   'In1 W1 Cl2'
_cell_volume   83.81
_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  0.0  0.0  1.0
  W  W1  1  0.44  0.0  0.41  1.0
  Cl  Cl2  1  0.43  0.05  0.82  1.0
  Cl  Cl3  1  0.45  0.05  0.99  1.0

In W Cl Cl
In W Cl Cl 0 3 o o - 0 1 o o o 0 1 - o o 1 2 o o o 1 1 + o o 1 3 o o - 2 3 o o o 