data_CuGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.38
_cell_angle_alpha   92.91
_cell_angle_beta   92.91
_cell_angle_gamma   99.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGePb2
_chemical_formula_sum   'Cu1 Ge1 Pb2'
_cell_volume   94.37
_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  0.45  0.0  0.0  1.0
  Pb  Pb2  1  0.59  0.03  0.69  1.0
  Pb  Pb3  1  0.59  0.97  0.69  1.0

data_CuGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   99.33
_cell_angle_beta   92.91
_cell_angle_gamma   92.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGePb2
_chemical_formula_sum   'Cu1 Ge1 Pb2'
_cell_volume   94.37
_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  0.45  0.0  1.0
  Pb  Pb2  1  0.69  0.59  0.03  1.0
  Pb  Pb3  1  0.69  0.59  0.97  1.0

Cu Ge Pb Pb