data_[Cs4Tl4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2293]
_cell_length_b [3.9245]
_cell_length_c [23.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsTlH]
_chemical_formula_sum '[Cs4 Tl4 H4]'
_cell_volume [382.6730]
_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  2  0.0000  0.0000  0.4651  1.0
  Cs  Cs1  2  0.5000  0.0000  0.3001  1.0
  Tl  Tl2  2  0.0000  0.0000  0.6645  1.0
  Tl  Tl3  2  0.5000  0.0000  0.0956  1.0
  H  H4  2  0.0000  0.0000  0.8568  1.0
  H  H5  2  0.5000  0.0000  0.0072  1.0
]