data_[Ca4Cd4In12]
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 [C2/m]
_cell_length_a [15.6039]
_cell_length_b [5.0809]
_cell_length_c [7.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCdIn3]
_chemical_formula_sum '[Ca4 Cd4 In12]'
_cell_volume [546.1247]
_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
[
  Ca  Ca0  4  0.1256  0.0000  0.9710  1.0
  Cd  Cd1  4  0.0188  0.5000  0.2095  1.0
  In  In2  4  0.0809  0.0000  0.4237  1.0
  In  In3  4  0.1593  0.5000  0.6940  1.0
  In  In4  4  0.2217  0.5000  0.2999  1.0
]