data_Cu2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.58
_cell_angle_alpha   104.76
_cell_angle_beta   104.76
_cell_angle_gamma   51.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeBi
_chemical_formula_sum   'Cu2 Ge1 Bi1'
_cell_volume   74.85
_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  Cu1  1  0.31  0.0  0.87  1.0
  Cu  Cu2  1  0.73  0.0  0.49  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.02  0.0  0.68  1.0

data_Cu2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.23
_cell_length_c   5.58
_cell_angle_alpha   104.76
_cell_angle_beta   90.0
_cell_angle_gamma   115.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeBi
_chemical_formula_sum   'Cu2 Ge1 Bi1'
_cell_volume   74.85
_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  Cu0  1  0.0  0.27  0.51  1.0
  Cu  Cu1  1  0.0  0.69  0.13  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.98  0.32  1.0

Cu Cu Ge Bi