data_[Ca6Cd4In8]
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 [11.4040]
_cell_length_b [5.0609]
_cell_length_c [9.4669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(CdIn2)2]
_chemical_formula_sum '[Ca6 Cd4 In8]'
_cell_volume [489.2009]
_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  0.1690  0.5000  0.6597  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1096  0.5000  0.2781  1.0
  In  In3  4  0.0380  0.0000  0.3703  1.0
  In  In4  4  0.2454  0.5000  0.0801  1.0
]