data_TeWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   154.64
_cell_angle_beta   140.18
_cell_angle_gamma   47.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeWBr2
_chemical_formula_sum   'Te1 W1 Br2'
_cell_volume   108.04
_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
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.71  1.0
  Br  Br0  1  0.61  0.0  0.59  1.0
  Br  Br1  1  0.0  0.5  0.11  1.0

data_TeWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.0
_cell_length_c   7.34
_cell_angle_alpha   109.91
_cell_angle_beta   102.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeWBr2
_chemical_formula_sum   'Te1 W1 Br2'
_cell_volume   108.04
_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
  Te  Te0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.29  0.29  0.29  1.0
  Br  Br2  1  0.02  0.41  0.02  1.0
  Br  Br3  1  0.89  0.38  0.38  1.0

Te W Br Br