data_[Cd2In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2012]
_cell_length_b [3.4900]
_cell_length_c [7.8899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdIn5]
_chemical_formula_sum '[Cd2 In10]'
_cell_volume [321.5469]
_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
[
  Cd  Cd0  2  0.4996  0.5000  0.9973  1.0
  In  In1  2  0.1075  0.5000  0.7316  1.0
  In  In2  2  0.1671  0.5000  0.3239  1.0
  In  In3  2  0.2841  0.0000  0.0573  1.0
  In  In4  2  0.3270  0.0000  0.6653  1.0
  In  In5  2  0.4480  0.5000  0.3912  1.0
]