data_[Cs10Al2In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3383]
_cell_length_b [16.0867]
_cell_length_c [9.1047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5AlIn6]
_chemical_formula_sum '[Cs10 Al2 In12]'
_cell_volume [1269.4670]
_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
[
  Cs  Cs0  4  0.0000  0.1928  0.5000  1
  Cs  Cs1  4  0.0000  0.3438  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  In  In4  8  0.1697  0.1217  0.1777  1
  In  In5  4  0.1468  0.0000  0.7970  1
]