data_YWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   3.34
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YWBr2
_chemical_formula_sum   'Y1 W1 Br2'
_cell_volume   108.39
_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
  Y  Y3  1  0.44  0.0  0.97  1.0
  W  W2  1  0.31  0.67  0.4  1.0
  Br  Br0  1  0.31  0.67  0.67  1.0
  Br  Br1  1  0.31  0.0  0.37  1.0

data_YWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.26
_cell_length_c   7.87
_cell_angle_alpha   104.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YWBr2
_chemical_formula_sum   'Y1 W1 Br2'
_cell_volume   108.39
_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
  Y  Y0  1  0.0  0.56  0.03  1.0
  W  W1  1  0.33  0.69  0.6  1.0
  Br  Br2  1  0.0  0.69  0.63  1.0
  Br  Br3  1  0.33  0.69  0.33  1.0

Y W Br Br