data_Li2CdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   130.6
_cell_angle_beta   130.6
_cell_angle_gamma   72.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdPt
_chemical_formula_sum   'Li2 Cd1 Pt1'
_cell_volume   63.79
_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  0.02  0.0  0.95  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.9  1.0
  Pt  Pt3  1  0.0  0.02  0.95  1.0

data_Li2CdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.84
_cell_angle_alpha   114.7
_cell_angle_beta   114.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdPt
_chemical_formula_sum   'Li2 Cd1 Pt1'
_cell_volume   63.79
_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  0.0  1.0
  Li  Li1  1  0.95  0.93  0.93  1.0
  Cd  Cd2  1  0.9  0.9  0.9  1.0
  Pt  Pt3  1  0.93  0.95  0.93  1.0

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