data_[Cs8Tl8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6764]
_cell_length_b [5.1570]
_cell_length_c [13.9749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2In]
_chemical_formula_sum '[Cs8 Tl8 In4]'
_cell_volume [948.7172]
_cell_formula_units_Z [4]
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  0.0224  0.0000  0.6614  1.0
  Cs  Cs1  4  0.2073  0.0000  0.1142  1.0
  Tl  Tl2  4  0.0041  0.5000  0.8907  1.0
  Tl  Tl3  4  0.1918  0.5000  0.5499  1.0
  In  In4  4  0.1854  0.5000  0.3283  1.0
]