data_CrSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   8.1
_cell_length_c   8.1
_cell_angle_alpha   20.59
_cell_angle_beta   20.59
_cell_angle_gamma   20.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Ge
_chemical_formula_sum   'Cr1 Si2 Ge1'
_cell_volume   57.6
_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
  Si  Si2  1  0.0  0.0  0.58  1.0
  Si  Si3  1  0.0  0.0  0.21  1.0
  Ge  Ge1  1  0.0  0.0  0.89  1.0

data_CrSi2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSi2Ge
_chemical_formula_sum   'Cr2 Si4 Ge2'
_cell_volume   115.2
_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  0.0  1.0
  Si  Si1  2  0.0  0.0  0.42  1.0
  Si  Si2  2  0.0  0.0  0.79  1.0
  Ge  Ge3  2  0.0  0.0  0.11  1.0

Cr Si Si Ge