data_AlCd2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.86
_cell_angle_alpha   103.56
_cell_angle_beta   103.56
_cell_angle_gamma   57.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2P
_chemical_formula_sum   'Al1 Cd2 P1'
_cell_volume   82.32
_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  0.64  0.0  0.0  1.0
  Cd  Cd1  1  0.02  0.0  0.11  1.0
  Cd  Cd2  1  0.31  0.0  0.78  1.0
  P  P3  1  0.43  0.0  0.03  1.0

data_AlCd2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.85
_cell_length_c   6.86
_cell_angle_alpha   103.56
_cell_angle_beta   90.0
_cell_angle_gamma   118.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2P
_chemical_formula_sum   'Al1 Cd2 P1'
_cell_volume   82.32
_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  0.36  1.0  1.0
  Cd  Cd1  1  0.0  0.69  0.22  1.0
  Cd  Cd2  1  0.0  0.98  0.89  1.0
  P  P3  1  0.0  0.57  0.97  1.0

Al Cd Cd P
Al Cd Cd P 0 3 o o o 0 1 + o o 0 2 o o - 1 3 o o o 2 3 o o + 