data_[Ba4Cd4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1705]
_cell_length_b [9.1367]
_cell_length_c [16.2842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCd(PO3)4]
_chemical_formula_sum '[Ba4 Cd4 P16 O48]'
_cell_volume [964.7271]
_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  4  0.3479  0.1022  0.3659  1
  Cd  Cd1  4  0.1559  0.7386  0.6584  1
  P  P2  4  0.1826  0.1596  0.5608  1
  P  P3  4  0.1961  0.5102  0.3283  1
  P  P4  4  0.2289  0.7455  0.4593  1
  P  P5  4  0.4069  0.0984  0.1739  1
  O  O6  4  0.0014  0.6884  0.9082  1
  O  O7  4  0.0756  0.6024  0.2468  1
  O  O8  4  0.1014  0.1386  0.4597  1
  O  O9  4  0.1314  0.1451  0.8296  1
  O  O10  4  0.2043  0.5826  0.4194  1
  O  O11  4  0.2591  0.5003  0.6907  1
  O  O12  4  0.2890  0.1796  0.0782  1
  O  O13  4  0.2936  0.7255  0.5591  1
  O  O14  4  0.3147  0.0437  0.6217  1
  O  O15  4  0.3710  0.6635  0.9347  1
  O  O16  4  0.4344  0.5013  0.3476  1
  O  O17  4  0.4880  0.7082  0.2520  1
]