data_[Ti2Cd4Si2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7227]
_cell_length_b [5.7227]
_cell_length_c [11.1044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [TiCd2SiP4]
_chemical_formula_sum '[Ti2 Cd4 Si2 P8]'
_cell_volume [363.6561]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  2  0.0000  0.5000  0.7500  1
  Cd  Cd1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  2  0.0000  0.5000  0.2500  1
  Si  Si3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2084  0.7617  0.8791  1
]