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 [P2_1/m]
_cell_length_a [5.0115]
_cell_length_b [4.7295]
_cell_length_c [9.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsAlIn]
_chemical_formula_sum '[Cs2 Al2 In2]'
_cell_volume [232.9586]
_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  2  0.2308  0.2500  0.3316  1.0
  Al  Al1  2  0.1607  0.7500  0.0040  1.0
  In  In2  2  0.3256  0.2500  0.8534  1.0
]