data_[Cs4Tl16Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6347]
_cell_length_b [8.7924]
_cell_length_c [18.7540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsTl4Ga]
_chemical_formula_sum '[Cs4 Tl16 Ga4]'
_cell_volume [929.1271]
_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  0.0000  0.0000  0.1962  1.0
  Tl  Tl1  8  0.0000  0.2171  0.6036  1.0
  Tl  Tl2  4  0.0000  0.1987  0.0000  1.0
  Tl  Tl3  4  0.0000  0.5000  0.1445  1.0
  Ga  Ga4  4  0.2445  0.0000  0.5000  1.0
]