data_AlCuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.34
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuBi2
_chemical_formula_sum   'Al1 Cu1 Bi2'
_cell_volume   96.63
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.17  0.71  1.0
  Bi  Bi1  1  0.06  0.0  0.71  1.0
  Bi  Bi2  1  0.06  0.17  0.0  1.0

data_AlCuBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.34
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuBi2
_chemical_formula_sum   'Al1 Cu1 Bi2'
_cell_volume   96.63
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.17  0.71  1.0
  Bi  Bi2  1  0.06  0.0  0.71  1.0
  Bi  Bi3  1  0.06  0.17  -0.0  1.0

Al Cu Bi Bi
Al Cu Bi Bi 0 3 o o o 1 2 o o o 