data_NbWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   6.62
_cell_angle_alpha   106.59
_cell_angle_beta   106.59
_cell_angle_gamma   33.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbWBr2
_chemical_formula_sum   'Nb1 W1 Br2'
_cell_volume   104.02
_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
  Nb  Nb2  1  0.31  0.0  0.77  1.0
  W  W3  1  0.0  0.0  0.11  1.0
  Br  Br0  1  0.34  0.0  0.7  1.0
  Br  Br1  1  0.46  0.0  0.22  1.0

data_NbWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.44
_cell_length_c   6.62
_cell_angle_alpha   106.59
_cell_angle_beta   90.0
_cell_angle_gamma   106.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbWBr2
_chemical_formula_sum   'Nb1 W1 Br2'
_cell_volume   104.02
_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
  Nb  Nb0  1  0.0  0.69  0.23  1.0
  W  W1  1  0.0  1.0  0.89  1.0
  Br  Br2  1  0.0  0.54  0.78  1.0
  Br  Br3  1  0.0  0.66  0.3  1.0

Nb W Br Br