data_AuBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.56
_cell_angle_alpha   100.7
_cell_angle_beta   100.7
_cell_angle_gamma   27.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuBr5
_chemical_formula_sum   'Au1 Br5'
_cell_volume   203.53
_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
  Au  Au0  1  0.54  0.0  0.03  1.0
  Br  Br1  1  0.97  0.0  0.29  1.0
  Br  Br2  1  0.77  0.0  0.8  1.0
  Br  Br3  1  0.69  0.0  0.67  1.0
  Br  Br4  1  0.37  0.0  0.03  1.0
  Br  Br5  1  0.98  0.0  0.27  1.0

data_AuBr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   7.56
_cell_length_c   7.71
_cell_angle_alpha   100.7
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuBr5
_chemical_formula_sum   'Au1 Br5'
_cell_volume   203.53
_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
  Au  Au0  1  0.0  0.03  0.54  1.0
  Br  Br1  1  0.0  0.03  0.37  1.0
  Br  Br2  1  0.0  0.27  0.98  1.0
  Br  Br3  1  0.0  0.29  0.97  1.0
  Br  Br4  1  0.0  0.67  0.69  1.0
  Br  Br5  1  0.0  0.8  0.77  1.0

Au Br Br Br Br Br