data_CuGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.0
_cell_angle_alpha   106.61
_cell_angle_beta   106.61
_cell_angle_gamma   58.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeBi2
_chemical_formula_sum   'Cu1 Ge1 Bi2'
_cell_volume   98.56
_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  0.49  0.0  0.31  1.0
  Bi  Bi0  1  0.88  0.0  0.48  1.0
  Bi  Bi1  1  0.1  0.0  0.14  1.0

data_CuGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.18
_cell_length_c   7.0
_cell_angle_alpha   106.61
_cell_angle_beta   90.0
_cell_angle_gamma   119.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeBi2
_chemical_formula_sum   'Cu1 Ge1 Bi2'
_cell_volume   98.56
_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  0.51  0.69  1.0
  Bi  Bi2  1  0.0  0.12  0.52  1.0
  Bi  Bi3  1  0.0  0.9  0.86  1.0

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