data_[Zr8Tl2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2115]
_cell_length_b [5.8957]
_cell_length_c [8.0787]
_cell_angle_alpha [76.7357]
_cell_angle_beta [89.6760]
_cell_angle_gamma [89.8206]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zr4TlH2]
_chemical_formula_sum '[Zr8 Tl2 H4]'
_cell_volume [241.5953]
_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
[
  Zr  Zr0  1  0.3734  0.6764  0.7980  1.0
  Zr  Zr1  1  0.3761  0.3038  0.5941  1.0
  Zr  Zr2  1  0.3874  0.5210  0.1844  1.0
  Zr  Zr3  1  0.3898  0.0977  0.0003  1.0
  Zr  Zr4  1  0.8723  0.9914  0.6679  1.0
  Zr  Zr5  1  0.8818  0.6061  0.4590  1.0
  Zr  Zr6  1  0.8820  0.1753  0.2683  1.0
  Zr  Zr7  1  0.8938  0.3815  0.8696  1.0
  Tl  Tl8  1  0.3772  0.9032  0.4112  1.0
  Tl  Tl9  1  0.8924  0.7906  0.0494  1.0
  H  H10  1  0.1288  0.3842  0.3753  1.0
  H  H11  1  0.5104  0.0208  0.7726  1.0
  H  H12  1  0.6370  0.3813  0.3803  1.0
  H  H13  1  0.6477  0.5165  0.6694  1.0
]