data_[Zr10Tl4H4]
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 [C2/m]
_cell_length_a [10.7472]
_cell_length_b [4.0684]
_cell_length_c [7.5783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5(TlH)2]
_chemical_formula_sum '[Zr10 Tl4 H4]'
_cell_volume [329.2464]
_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  4  0.1397  0.0000  0.4342  1
  Zr  Zr1  4  0.2140  0.5000  0.1495  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0723  0.5000  0.7253  1
  H  H4  4  0.1641  0.0000  0.1626  1
]