data_CuSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   144.81
_cell_angle_beta   128.92
_cell_angle_gamma   63.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiGe2
_chemical_formula_sum   'Cu1 Si1 Ge2'
_cell_volume   64.65
_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  0.48  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.59  0.0  0.24  1.0
  Ge  Ge2  1  0.0  0.27  0.23  1.0

data_CuSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.54
_cell_length_c   5.26
_cell_angle_alpha   115.54
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiGe2
_chemical_formula_sum   'Cu1 Si1 Ge2'
_cell_volume   64.65
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.52  0.52  0.52  1.0
  Ge  Ge2  1  0.35  0.76  0.35  1.0
  Ge  Ge3  1  0.77  0.04  0.04  1.0

Cu Si Ge Ge
Cu Si Ge Ge 0 2 - o o 1 3 o o o 