data_HfAgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.88
_cell_length_c   7.88
_cell_angle_alpha   156.04
_cell_angle_beta   142.57
_cell_angle_gamma   44.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgBr2
_chemical_formula_sum   'Hf1 Ag1 Br2'
_cell_volume   120.27
_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  Hf3  1  0.0  0.0  0.28  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.53  0.16  1.0
  Br  Br2  1  0.63  0.0  0.11  1.0

data_HfAgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.05
_cell_length_c   7.88
_cell_angle_alpha   108.71
_cell_angle_beta   101.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgBr2
_chemical_formula_sum   'Hf1 Ag1 Br2'
_cell_volume   120.27
_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  0.72  0.72  0.72  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.52  0.89  0.52  1.0
  Br  Br3  1  0.84  0.36  0.36  1.0

Hf Ag Br Br