data_[Ca2Y4Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3783]
_cell_length_b [6.3637]
_cell_length_c [16.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca(YCd4)2]
_chemical_formula_sum '[Ca2 Y4 Cd16]'
_cell_volume [548.0420]
_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  2  0.0000  0.5000  0.5000  1
  Y  Y1  4  0.0000  0.0000  0.3109  1
  Cd  Cd2  8  0.0000  0.2336  0.1320  1
  Cd  Cd3  4  0.0000  0.5000  0.2988  1
  Cd  Cd4  4  0.2483  0.0000  0.5000  1
]