data_InW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.36
_cell_angle_alpha   103.35
_cell_angle_beta   103.35
_cell_angle_gamma   37.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InW2Se
_chemical_formula_sum   'In1 W2 Se1'
_cell_volume   77.96
_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  1.0  0.0  0.43  1.0
  W  W2  1  0.84  0.0  0.14  1.0
  W  W3  1  0.55  0.0  0.04  1.0
  Se  Se1  1  0.43  0.0  0.39  1.0

data_InW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.96
_cell_length_c   5.36
_cell_angle_alpha   103.35
_cell_angle_beta   90.0
_cell_angle_gamma   108.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InW2Se
_chemical_formula_sum   'In1 W2 Se1'
_cell_volume   77.96
_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  0.57  1.0
  W  W1  1  0.0  0.16  0.86  1.0
  W  W2  1  0.0  0.45  0.96  1.0
  Se  Se3  1  0.0  0.57  0.61  1.0

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