data_AlCr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   4.07
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Bi
_chemical_formula_sum   'Al1 Cr2 Bi1'
_cell_volume   69.42
_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
  Cr  Cr2  1  0.93  0.03  0.0  1.0
  Cr  Cr3  1  0.93  0.0  0.21  1.0
  Bi  Bi1  1  0.0  0.03  0.21  1.0

data_AlCr2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.07
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Bi
_chemical_formula_sum   'Al1 Cr2 Bi1'
_cell_volume   69.42
_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
  Cr  Cr1  1  0.93  0.0  0.21  1.0
  Cr  Cr2  1  0.93  0.03  0.0  1.0
  Bi  Bi3  1  0.0  0.03  0.21  1.0

Al Cr Cr Bi