data_[Ca6Cd8In4]
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 [11.4241]
_cell_length_b [4.9965]
_cell_length_c [9.4347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(Cd2In)2]
_chemical_formula_sum '[Ca6 Cd8 In4]'
_cell_volume [481.4190]
_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  0.1636  0.5000  0.6691  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0670  0.0000  0.4014  1.0
  Cd  Cd3  4  0.2128  0.5000  0.0449  1.0
  In  In4  4  0.1126  0.5000  0.2776  1.0
]