data_BaWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   4.84
_cell_angle_alpha   107.97
_cell_angle_beta   107.97
_cell_angle_gamma   28.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaWBr2
_chemical_formula_sum   'Ba1 W1 Br2'
_cell_volume   128.17
_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
  Ba  Ba0  1  0.55  0.0  0.2  1.0
  W  W3  1  0.55  0.0  0.69  1.0
  Br  Br1  1  0.31  0.0  0.5  1.0
  Br  Br2  1  0.12  0.0  0.09  1.0

data_BaWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.84
_cell_length_c   7.7
_cell_angle_alpha   107.97
_cell_angle_beta   104.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaWBr2
_chemical_formula_sum   'Ba1 W1 Br2'
_cell_volume   128.17
_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
  Ba  Ba0  1  0.0  0.2  0.55  1.0
  W  W1  1  0.0  0.69  0.55  1.0
  Br  Br2  1  0.0  0.09  0.12  1.0
  Br  Br3  1  0.0  0.5  0.31  1.0

Ba W Br Br