data_CuGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   31.37
_cell_angle_beta   31.37
_cell_angle_gamma   31.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeBi2
_chemical_formula_sum   'Cu1 Ge1 Bi2'
_cell_volume   98.85
_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  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.59  1.0
  Bi  Bi0  1  0.0  0.0  0.74  1.0
  Bi  Bi1  1  0.0  0.0  0.45  1.0

data_CuGeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   4.02
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuGeBi2
_chemical_formula_sum   'Cu2 Ge2 Bi4'
_cell_volume   197.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.41  1.0
  Bi  Bi2  2  0.0  0.0  0.26  1.0
  Bi  Bi3  2  0.0  0.0  0.55  1.0

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