data_AlCdP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   123.11
_cell_angle_beta   123.11
_cell_angle_gamma   84.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdP2
_chemical_formula_sum   'Al1 Cd1 P2'
_cell_volume   69.93
_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
  Cd  Cd1  1  0.0  0.0  0.48  1.0
  P  P2  1  0.0  0.24  0.74  1.0
  P  P3  1  0.24  0.0  0.74  1.0

data_AlCdP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   132.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCdP2
_chemical_formula_sum   'Al2 Cd2 P4'
_cell_volume   139.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.48  1.0
  P  P2  4  0.38  0.38  0.5  1.0

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