data_GeBiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.5
_cell_length_c   3.43
_cell_angle_alpha   79.49
_cell_angle_beta   74.38
_cell_angle_gamma   26.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiBr
_chemical_formula_sum   'Ge1 Bi1 Br1'
_cell_volume   82.66
_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
  Ge  Ge2  1  0.17  0.66  0.65  1.0
  Bi  Bi0  1  0.17  0.66  0.13  1.0
  Br  Br1  1  0.17  0.66  0.94  1.0

data_GeBiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   14.36
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   129.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeBiBr
_chemical_formula_sum   'Ge2 Bi2 Br2'
_cell_volume   165.32
_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
  Ge  Ge0  2  0.15  0.5  0.82  1.0
  Bi  Bi1  2  0.13  0.0  0.29  1.0
  Br  Br2  2  0.44  0.5  0.1  1.0

Ge Bi Br