data_[Ba16Li8Cd12P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4966]
_cell_length_b [19.9532]
_cell_length_c [16.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba4Li2(CdP2)3]
_chemical_formula_sum '[Ba16 Li8 Cd12 P24]'
_cell_volume [1511.7302]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  8  0.0000  0.0162  0.6224  1
  Ba  Ba1  8  0.0000  0.1715  0.0684  1
  Li  Li2  4  0.0000  0.1499  0.7500  1
  Li  Li3  4  0.0000  0.4368  0.7500  1
  Cd  Cd4  8  0.0000  0.3495  0.1252  1
  Cd  Cd5  4  0.0000  0.2966  0.7500  1
  P  P6  8  0.0000  0.2196  0.6184  1
  P  P7  8  0.0000  0.4440  0.5114  1
  P  P8  4  0.0000  0.1199  0.2500  1
  P  P9  4  0.0000  0.4307  0.2500  1
]