data_AlCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.03
_cell_angle_alpha   95.24
_cell_angle_beta   95.24
_cell_angle_gamma   34.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Cd
_chemical_formula_sum   'Al1 Cr2 Cd1'
_cell_volume   58.9
_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  0.1  0.0  0.41  1.0
  Cr  Cr2  1  0.7  0.0  0.2  1.0
  Cr  Cr3  1  0.51  0.0  0.17  1.0
  Cd  Cd1  1  0.82  0.0  0.74  1.0

data_AlCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.57
_cell_length_c   5.03
_cell_angle_alpha   95.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Cd
_chemical_formula_sum   'Al1 Cr2 Cd1'
_cell_volume   58.9
_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  0.9  0.59  1.0
  Cr  Cr1  1  0.0  0.3  0.8  1.0
  Cr  Cr2  1  0.0  0.49  0.83  1.0
  Cd  Cd3  1  0.0  0.18  0.26  1.0

Al Cr Cr Cd