data_Co2GeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   3.9
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GeBr
_chemical_formula_sum   'Co2 Ge1 Br1'
_cell_volume   63.5
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.47  0.0  0.77  1.0
  Ge  Ge3  1  0.47  0.95  0.0  1.0
  Br  Br0  1  0.0  0.95  0.77  1.0

data_Co2GeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.9
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GeBr
_chemical_formula_sum   'Co2 Ge1 Br1'
_cell_volume   63.5
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.47  0.0  0.77  1.0
  Ge  Ge2  1  0.47  0.95  -0.0  1.0
  Br  Br3  1  -0.0  0.95  0.77  1.0

Co Co Ge Br
Co Co Ge Br 0 2 - - o 0 2 o - o 0 3 o - - 1 3 o - o 1 3 + - o 1 2 o - + 