data_CrSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Ge
_chemical_formula_sum   'Cr1 Sn2 Ge1'
_cell_volume   82.64
_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  0.88  1.0
  Sn  Sn2  1  0.0  0.0  0.22  1.0
  Sn  Sn3  1  0.12  0.0  0.76  1.0
  Ge  Ge1  1  0.12  0.0  0.5  1.0

data_CrSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Ge
_chemical_formula_sum   'Cr1 Sn2 Ge1'
_cell_volume   82.64
_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  0.88  1.0
  Sn  Sn1  1  0.0  0.0  0.22  1.0
  Sn  Sn2  1  0.12  0.0  0.76  1.0
  Ge  Ge3  1  0.12  0.0  0.5  1.0

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