data_HfSbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.83
_cell_length_c   3.26
_cell_angle_alpha   79.19
_cell_angle_beta   76.88
_cell_angle_gamma   23.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbBr
_chemical_formula_sum   'Hf1 Sb1 Br1'
_cell_volume   79.67
_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  Hf1  1  0.19  0.42  0.92  1.0
  Sb  Sb2  1  0.19  0.42  0.5  1.0
  Br  Br0  1  0.19  0.42  0.62  1.0

data_HfSbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   15.04
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   132.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfSbBr
_chemical_formula_sum   'Hf2 Sb2 Br2'
_cell_volume   159.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.42  0.5  0.11  1.0
  Sb  Sb1  2  0.0  0.5  0.69  1.0
  Br  Br2  2  0.12  0.5  0.81  1.0

Hf Sb Br
Hf Sb Br 0 2 o o o 1 2 o o o 