data_[Cs2Al2In2]
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 [Pm]
_cell_length_a [5.0171]
_cell_length_b [4.7783]
_cell_length_c [9.4993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsAlIn]
_chemical_formula_sum '[Cs2 Al2 In2]'
_cell_volume [227.5390]
_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  1  0.4710  0.5000  0.5309  1
  Cs  Cs1  1  0.9874  0.0000  0.8543  1
  Al  Al2  1  0.0537  0.5000  0.1792  1
  Al  Al3  1  0.5587  0.5000  0.0443  1
  In  In4  1  0.4265  0.0000  0.1856  1
  In  In5  1  0.9339  0.0000  0.3573  1
]