data_[Ca4Cd2In2]
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 [Cm]
_cell_length_a [11.9254]
_cell_length_b [3.8155]
_cell_length_c [5.5125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2CdIn]
_chemical_formula_sum '[Ca4 Cd2 In2]'
_cell_volume [235.1992]
_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  0.0198  0.0000  0.0432  1.0
  Ca  Ca1  2  0.2285  0.0000  0.7039  1.0
  Cd  Cd2  2  0.4789  0.0000  0.5186  1.0
  In  In3  2  0.2728  0.5000  0.2342  1.0
]