data_La2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   141.26
_cell_angle_beta   141.26
_cell_angle_gamma   55.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2WBr
_chemical_formula_sum   'La2 W1 Br1'
_cell_volume   102.85
_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  0.13  0.0  0.84  1.0
  La  La2  1  0.0  0.0  0.67  1.0
  W  W3  1  0.0  0.13  0.84  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_La2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   6.42
_cell_angle_alpha   109.37
_cell_angle_beta   109.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2WBr
_chemical_formula_sum   'La2 W1 Br1'
_cell_volume   102.85
_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  La0  1  0.67  0.67  0.67  1.0
  La  La1  1  0.84  0.71  0.71  1.0
  W  W2  1  0.71  0.84  0.71  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La La W Br
La La W Br 0 1 o o o 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o + 