data_CuSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   144.98
_cell_angle_beta   129.6
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiGe2
_chemical_formula_sum   'Cu1 Si1 Ge2'
_cell_volume   65.58
_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  0.26  0.26  1.0
  Si  Si3  1  0.0  0.0  0.55  1.0
  Ge  Ge1  1  0.0  0.0  0.05  1.0
  Ge  Ge2  1  0.6  0.0  0.28  1.0

data_CuSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.52
_cell_length_c   5.31
_cell_angle_alpha   115.2
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiGe2
_chemical_formula_sum   'Cu1 Si1 Ge2'
_cell_volume   65.58
_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
  Si  Si0  1  0.0  0.55  0.55  1.0
  Cu  Cu1  1  0.74  0.99  0.99  1.0
  Ge  Ge2  1  0.0  0.05  0.05  1.0
  Ge  Ge3  1  0.0  0.28  0.68  1.0

Cu Si Ge Ge