data_AsWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsWBr2
_chemical_formula_sum   'As1 W1 Br2'
_cell_volume   79.5
_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
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.19  0.0  0.0  1.0
  Br  Br1  1  0.59  0.03  0.54  1.0
  Br  Br2  1  0.59  0.97  0.54  1.0

data_AsWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   103.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsWBr2
_chemical_formula_sum   'As1 W1 Br2'
_cell_volume   79.5
_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
  As  As0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.19  0.0  1.0
  Br  Br2  1  0.54  0.59  0.03  1.0
  Br  Br3  1  0.54  0.59  0.97  1.0

As W Br Br
As W Br Br 0 1 o o o 2 3 o - o 