data_InOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOsW2
_chemical_formula_sum   'In1 Os1 W2'
_cell_volume   67.77
_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  0.52  1.0
  Os  Os1  1  0.58  0.0  0.15  1.0
  W  W2  1  0.0  0.0  0.04  1.0
  W  W3  1  0.58  0.0  0.98  1.0

data_InOsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOsW2
_chemical_formula_sum   'In1 Os1 W2'
_cell_volume   67.77
_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  0.52  1.0
  Os  Os1  1  0.58  0.0  0.15  1.0
  W  W2  1  0.0  0.0  0.04  1.0
  W  W3  1  0.58  0.0  0.98  1.0

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