data_CrSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.44
_cell_angle_alpha   103.37
_cell_angle_beta   103.37
_cell_angle_gamma   37.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Ge
_chemical_formula_sum   'Cr1 Sn2 Ge1'
_cell_volume   88.03
_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
  Sn  Sn2  1  0.02  0.0  0.27  1.0
  Sn  Sn3  1  0.54  0.0  0.01  1.0
  Ge  Ge1  1  0.28  0.0  0.64  1.0

data_CrSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.23
_cell_length_c   5.44
_cell_angle_alpha   103.37
_cell_angle_beta   90.0
_cell_angle_gamma   108.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Ge
_chemical_formula_sum   'Cr1 Sn2 Ge1'
_cell_volume   88.03
_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
  Sn  Sn1  1  0.0  0.46  0.99  1.0
  Sn  Sn2  1  0.0  0.98  0.73  1.0
  Ge  Ge3  1  0.0  0.72  0.36  1.0

Cr Sn Sn Ge
Cr Sn Sn Ge 0 1 o o o 0 2 - o o 1 2 - o o 1 3 o o o 2 3 o o - 