data_InSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.9
_cell_angle_alpha   96.45
_cell_angle_beta   96.45
_cell_angle_gamma   37.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSbW2
_chemical_formula_sum   'In1 Sb1 W2'
_cell_volume   76.09
_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
  Sb  Sb1  1  0.49  0.0  0.43  1.0
  W  W2  1  0.97  0.0  0.63  1.0
  W  W3  1  0.01  0.0  0.23  1.0

data_InSbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.9
_cell_length_c   5.05
_cell_angle_alpha   96.45
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSbW2
_chemical_formula_sum   'In1 Sb1 W2'
_cell_volume   76.09
_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
  Sb  Sb1  1  0.0  0.43  0.49  1.0
  W  W2  1  0.0  0.23  0.01  1.0
  W  W3  1  0.0  0.63  0.97  1.0

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