data_Cr2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   132.83
_cell_angle_beta   119.74
_cell_angle_gamma   79.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GeSb
_chemical_formula_sum   'Cr2 Ge1 Sb1'
_cell_volume   65.04
_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  0.89  0.0  0.64  1.0
  Cr  Cr1  1  0.0  0.37  0.99  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.62  1.0

data_Cr2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   60.26
_cell_angle_beta   66.41
_cell_angle_gamma   66.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GeSb
_chemical_formula_sum   'Cr2 Ge1 Sb1'
_cell_volume   65.04
_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  0.75  0.89  0.36  1.0
  Cr  Cr1  1  0.99  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.62  0.0  0.38  1.0

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