data_CuSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.32
_cell_angle_alpha   105.58
_cell_angle_beta   105.58
_cell_angle_gamma   52.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2Ge
_chemical_formula_sum   'Cu1 Sn2 Ge1'
_cell_volume   88.4
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.35  0.0  0.32  1.0
  Sn  Sn3  1  0.49  0.0  0.71  1.0
  Ge  Ge1  1  0.92  0.0  0.02  1.0

data_CuSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.31
_cell_length_c   6.32
_cell_angle_alpha   105.58
_cell_angle_beta   90.0
_cell_angle_gamma   116.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2Ge
_chemical_formula_sum   'Cu1 Sn2 Ge1'
_cell_volume   88.4
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.51  0.29  1.0
  Sn  Sn2  1  0.0  0.65  0.68  1.0
  Ge  Ge3  1  0.0  0.08  0.98  1.0

Cu Sn Sn Ge