data_CrGeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGeBr
_chemical_formula_sum   'Cr1 Ge1 Br1'
_cell_volume   50.67
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.18  0.26  0.54  1.0
  Br  Br0  1  1.0  0.51  0.0  1.0

data_CrGeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGeBr
_chemical_formula_sum   'Cr1 Ge1 Br1'
_cell_volume   50.67
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.54  0.18  0.26  1.0
  Br  Br2  1  -0.0  1.0  0.51  1.0

Cr Ge Br
Cr Ge Br 0 2 - - o 0 2 - o o 0 1 o o - 0 1 o o o 1 2 - o + 1 2 - o o 