data_In2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   143.91
_cell_angle_beta   129.03
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2WSe
_chemical_formula_sum   'In2 W1 Se1'
_cell_volume   80.32
_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  0.74  0.0  0.41  1.0
  In  In1  1  0.0  0.42  0.36  1.0
  W  W3  1  0.0  0.0  0.77  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_In2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.84
_cell_length_c   5.62
_cell_angle_alpha   115.48
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2WSe
_chemical_formula_sum   'In2 W1 Se1'
_cell_volume   80.32
_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  0.33  0.59  0.33  1.0
  In  In1  1  0.64  0.06  0.06  1.0
  W  W2  1  0.23  0.23  0.23  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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