data_CrGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe2Sb
_chemical_formula_sum   'Cr1 Ge2 Sb1'
_cell_volume   76.43
_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  0.72  1.0
  Ge  Ge1  1  0.05  0.0  0.24  1.0
  Ge  Ge2  1  0.0  0.0  0.26  1.0
  Sb  Sb3  1  0.05  0.0  0.59  1.0

data_CrGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe2Sb
_chemical_formula_sum   'Cr1 Ge2 Sb1'
_cell_volume   76.43
_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  0.72  1.0
  Ge  Ge1  1  0.0  0.0  0.26  1.0
  Ge  Ge2  1  0.05  0.0  0.24  1.0
  Sb  Sb3  1  0.05  0.0  0.59  1.0

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