data_[Cs4Tl2As2H2]
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
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5050]
_cell_length_b [4.7045]
_cell_length_c [11.1717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2TlAsH]
_chemical_formula_sum '[Cs4 Tl2 As2 H2]'
_cell_volume [387.0833]
_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  0.2244  0.7500  0.4389  1.0
  Cs  Cs1  2  0.3116  0.2500  0.0991  1.0
  Tl  Tl2  2  0.1751  0.7500  0.7986  1.0
  As  As3  2  0.3332  0.2500  0.7241  1.0
  H  H4  2  0.0812  0.2500  0.2945  1.0
]