data_CrSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   17.74
_cell_angle_beta   17.74
_cell_angle_gamma   17.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiGe2
_chemical_formula_sum   'Cr1 Si1 Ge2'
_cell_volume   62.67
_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  0.45  1.0
  Si  Si3  1  0.0  0.0  0.22  1.0
  Ge  Ge1  1  0.0  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.59  1.0

data_CrSiGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSiGe2
_chemical_formula_sum   'Cr2 Si2 Ge4'
_cell_volume   125.35
_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
  Cr  Cr0  2  0.0  0.0  0.55  1.0
  Si  Si1  2  0.0  0.0  0.78  1.0
  Ge  Ge2  2  0.0  0.0  0.41  1.0
  Ge  Ge3  2  0.0  0.0  0.61  1.0

Cr Si Ge Ge
Cr Si Ge Ge 0 2 o o o 0 3 o o o 1 2 o o o 