data_[Y8Tl8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7198]
_cell_length_b [12.1267]
_cell_length_c [10.4475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y2Tl2H]
_chemical_formula_sum '[Y8 Tl8 H4]'
_cell_volume [471.2691]
_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
[
  Y  Y0  4  0.0000  0.1593  0.9058  1
  Y  Y1  4  0.0000  0.4444  0.1349  1
  Tl  Tl2  4  0.0000  0.0968  0.3526  1
  Tl  Tl3  4  0.0000  0.2832  0.6431  1
  H  H4  4  0.0000  0.3933  0.3293  1
]