data_[Zr8Tl4H4]
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/c]
_cell_length_a [5.6537]
_cell_length_b [10.7376]
_cell_length_c [5.4780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2TlH]
_chemical_formula_sum '[Zr8 Tl4 H4]'
_cell_volume [285.2930]
_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
[
  Zr  Zr0  8  0.1593  0.3736  0.5881  1.0
  Tl  Tl1  4  0.0000  0.1166  0.7500  1.0
  H  H2  4  0.0000  0.2468  0.2500  1.0
]