data_HfRuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRuBr2
_chemical_formula_sum   'Hf1 Ru1 Br2'
_cell_volume   92.63
_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
  Hf  Hf2  1  0.19  0.0  0.08  1.0
  Ru  Ru3  1  0.0  0.0  0.54  1.0
  Br  Br0  1  0.19  0.0  0.7  1.0
  Br  Br1  1  0.0  0.0  0.06  1.0

data_HfRuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRuBr2
_chemical_formula_sum   'Hf1 Ru1 Br2'
_cell_volume   92.63
_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
  Hf  Hf0  1  0.19  0.0  0.08  1.0
  Ru  Ru1  1  0.0  0.0  0.54  1.0
  Br  Br2  1  0.0  0.0  0.06  1.0
  Br  Br3  1  0.19  0.0  0.7  1.0

Hf Ru Br Br