data_TeW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   4.06
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   98.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW2Br
_chemical_formula_sum   'Te1 W2 Br1'
_cell_volume   101.2
_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  Te1  1  0.58  0.03  0.97  1.0
  W  W2  1  0.33  0.0  0.71  1.0
  W  W3  1  0.27  0.03  0.01  1.0
  Br  Br0  1  0.49  0.0  0.02  1.0

data_TeW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.06
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   98.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW2Br
_chemical_formula_sum   'Te1 W2 Br1'
_cell_volume   101.2
_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  0.58  0.03  0.97  1.0
  W  W1  1  0.27  0.03  0.01  1.0
  W  W2  1  0.33  0.0  0.71  1.0
  Br  Br3  1  0.49  0.0  0.02  1.0

Te W W Br