data_InAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   6.02
_cell_angle_alpha   114.63
_cell_angle_beta   114.63
_cell_angle_gamma   41.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2W
_chemical_formula_sum   'In1 As2 W1'
_cell_volume   81.26
_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  0.7  0.0  0.58  1.0
  As  As0  1  0.08  0.0  0.73  1.0
  As  As1  1  0.06  0.0  0.3  1.0
  W  W3  1  0.75  0.0  0.87  1.0

data_InAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.77
_cell_length_c   5.92
_cell_angle_alpha   67.57
_cell_angle_beta   73.42
_cell_angle_gamma   69.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2W
_chemical_formula_sum   'In1 As2 W1'
_cell_volume   81.26
_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  0.12  0.58  1.0
  As  As1  1  0.0  0.35  0.73  1.0
  As  As2  1  0.0  0.76  0.3  1.0
  W  W3  1  0.0  0.88  0.87  1.0

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