data_FeWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeWBr2
_chemical_formula_sum   'Fe1 W1 Br2'
_cell_volume   71.17
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.24  1.0
  Br  Br0  1  0.48  0.0  0.5  1.0
  Br  Br1  1  0.48  0.0  0.97  1.0

data_FeWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.2
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeWBr2
_chemical_formula_sum   'Fe1 W1 Br2'
_cell_volume   71.17
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.24  1.0
  Br  Br2  1  0.0  0.48  0.5  1.0
  Br  Br3  1  0.0  0.48  0.97  1.0

Fe W Br Br