data_Cu2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   23.52
_cell_angle_beta   23.52
_cell_angle_gamma   23.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeSb
_chemical_formula_sum   'Cu2 Ge1 Sb1'
_cell_volume   69.69
_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
  Cu  Cu0  1  0.0  0.0  0.2  1.0
  Cu  Cu1  1  0.0  0.0  0.92  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.56  1.0

data_Cu2GeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   3.23
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2GeSb
_chemical_formula_sum   'Cu4 Ge2 Sb2'
_cell_volume   139.38
_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
  Cu  Cu0  2  -0.0  0.0  0.8  1.0
  Cu  Cu1  2  -0.0  0.0  0.08  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  -0.0  0.0  0.44  1.0

Cu Cu Ge Sb
Cu Cu Ge Sb 0 2 o o o 0 3 o o o 1 2 o o + 1 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 