data_LaWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   29.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaWBr2
_chemical_formula_sum   'La1 W1 Br2'
_cell_volume   104.64
_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  La2  1  0.0  0.0  0.91  1.0
  W  W3  1  0.36  0.0  0.79  1.0
  Br  Br0  1  0.0  0.0  0.88  1.0
  Br  Br1  1  0.36  0.0  0.14  1.0

data_LaWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.72
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaWBr2
_chemical_formula_sum   'La1 W1 Br2'
_cell_volume   104.64
_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  0.09  0.0  0.09  1.0
  W  W1  1  0.21  0.36  0.21  1.0
  Br  Br2  1  0.12  0.0  0.12  1.0
  Br  Br3  1  0.86  0.36  0.86  1.0

La W Br Br