data_[Zr14Tl2Bi4H4]
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
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1018]
_cell_length_b [6.1059]
_cell_length_c [13.0877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr7Tl(BiH)2]
_chemical_formula_sum '[Zr14 Tl2 Bi4 H4]'
_cell_volume [477.2894]
_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  8  0.1686  0.2512  0.8117  1.0
  Zr  Zr1  4  0.1691  0.5000  0.4026  1.0
  Zr  Zr2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1576  0.0000  0.3652  1.0
  H  H5  4  0.0716  0.5000  0.1657  1.0
]