data_[Ca16Cd2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3917]
_cell_length_b [8.9389]
_cell_length_c [15.2901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca8CdIn2]
_chemical_formula_sum '[Ca16 Cd2 In4]'
_cell_volume [736.9226]
_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  8  0.0000  0.2142  0.3421  1
  Ca  Ca1  4  0.0000  0.0000  0.1407  1
  Ca  Ca2  4  0.0000  0.3162  0.0000  1
  Cd  Cd3  2  0.0000  0.5000  0.5000  1
  In  In4  4  0.0000  0.5000  0.1951  1
]