data_La2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.99
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2WBr
_chemical_formula_sum   'La2 W1 Br1'
_cell_volume   107.02
_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
  La  La1  1  0.0  1.0  0.12  1.0
  La  La2  1  0.51  0.0  0.22  1.0
  W  W3  1  0.51  1.0  0.53  1.0
  Br  Br0  1  0.0  0.0  0.02  1.0

data_La2WBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.56
_cell_length_b   5.99
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2WBr
_chemical_formula_sum   'La2 W1 Br1'
_cell_volume   107.02
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, -z+13/691'
  3  'x, y, -z+13/691'
  4  '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
  La  La0  1  0.12  0.0  -0.0  1.0
  La  La1  1  0.22  0.0  0.51  1.0
  W  W2  1  0.53  0.0  0.51  1.0
  Br  Br3  1  0.02  0.0  0.0  1.0

La La W Br