data_NaW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   6.1
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaW2Br
_chemical_formula_sum   'Na1 W2 Br1'
_cell_volume   84.34
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.79  0.05  0.95  1.0
  W  W3  1  0.23  0.05  0.42  1.0
  Br  Br0  1  0.51  0.0  0.19  1.0

data_NaW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.37
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaW2Br
_chemical_formula_sum   'Na1 W2 Br1'
_cell_volume   84.34
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.21  0.05  0.95  1.0
  W  W2  1  0.77  0.58  0.95  1.0
  Br  Br3  1  0.49  0.81  0.0  1.0

Na W W Br