data_[Ca6Cd8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3487]
_cell_length_b [4.4022]
_cell_length_c [26.7059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3(CdSi)4]
_chemical_formula_sum '[Ca6 Cd8 Si8]'
_cell_volume [511.2630]
_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
[
  Ca  Ca0  4  0.0000  0.5000  0.1441  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.0000  0.2506  1.0
  Cd  Cd3  4  0.0000  0.5000  0.4079  1.0
  Si  Si4  4  0.0000  0.0000  0.4566  1.0
  Si  Si5  4  0.0000  0.5000  0.3123  1.0
]