data_LiCdP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.04
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdP2
_chemical_formula_sum   'Li1 Cd1 P2'
_cell_volume   79.17
_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
  Li  Li1  1  0.0  0.0  0.81  1.0
  Cd  Cd0  1  0.34  0.02  0.44  1.0
  P  P2  1  0.34  0.02  1.0  1.0
  P  P3  1  0.0  0.0  0.05  1.0

data_LiCdP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.04
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdP2
_chemical_formula_sum   'Li1 Cd1 P2'
_cell_volume   79.17
_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
  Li  Li0  1  0.0  0.0  0.81  1.0
  Cd  Cd1  1  0.34  0.02  0.44  1.0
  P  P2  1  0.0  0.0  0.05  1.0
  P  P3  1  0.34  0.02  1.0  1.0

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