data_Ge2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2IrBr
_chemical_formula_sum   'Ge2 Ir1 Br1'
_cell_volume   76.89
_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  Ge1  1  0.21  0.0  0.27  1.0
  Ge  Ge2  1  0.21  0.0  0.34  1.0
  Ir  Ir3  1  0.0  0.0  0.8  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ge2IrBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ge2IrBr
_chemical_formula_sum   'Ge2 Ir1 Br1'
_cell_volume   76.94
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ge0  1  0.21  0.0  0.27  1.0
  Ge  Ge1  1  0.21  0.0  0.34  1.0
  Ir  Ir2  1  0.0  0.0  0.8  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ge Ge Ir Br
Ge Ge Ir Br 0 1 o o o 2 3 o o + 