data_CuGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.21
_cell_angle_alpha   103.86
_cell_angle_beta   103.86
_cell_angle_gamma   52.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Pb
_chemical_formula_sum   'Cu1 Ge2 Pb1'
_cell_volume   86.9
_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
  Ge  Ge1  1  0.67  0.0  0.08  1.0
  Ge  Ge2  1  0.31  0.0  0.9  1.0
  Pb  Pb3  1  0.99  0.0  0.99  1.0

data_CuGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.27
_cell_length_c   6.21
_cell_angle_alpha   103.86
_cell_angle_beta   90.0
_cell_angle_gamma   116.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Pb
_chemical_formula_sum   'Cu1 Ge2 Pb1'
_cell_volume   86.9
_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
  Ge  Ge1  1  0.0  0.33  0.92  1.0
  Ge  Ge2  1  0.0  0.69  0.1  1.0
  Pb  Pb3  1  0.0  0.01  0.01  1.0

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