data_Fe2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   6.13
_cell_angle_alpha   97.3
_cell_angle_beta   97.3
_cell_angle_gamma   46.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2WBr
_chemical_formula_sum   'Fe2 W1 Br1'
_cell_volume   75.61
_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  Fe1  1  0.28  0.0  0.19  1.0
  Fe  Fe2  1  0.96  0.0  0.75  1.0
  W  W3  1  0.26  0.0  0.64  1.0
  Br  Br0  1  0.44  0.0  0.58  1.0

data_Fe2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.15
_cell_length_c   6.13
_cell_angle_alpha   97.3
_cell_angle_beta   90.0
_cell_angle_gamma   113.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2WBr
_chemical_formula_sum   'Fe2 W1 Br1'
_cell_volume   75.61
_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  0.04  0.25  1.0
  Fe  Fe1  1  0.0  0.72  0.81  1.0
  W  W2  1  0.0  0.74  0.36  1.0
  Br  Br3  1  0.0  0.56  0.42  1.0

Fe Fe W Br
Fe Fe W Br 0 1 - o - 0 2 o o o 0 3 o o o 1 2 + o o 2 3 o o o 