data_[Zr16Bi4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1657]
_cell_length_b [13.7034]
_cell_length_c [5.7107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4BiH]
_chemical_formula_sum '[Zr16 Bi4 H4]'
_cell_volume [513.5767]
_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  0.1321  0.2172  0.6324  1
  Zr  Zr1  8  0.1975  0.0606  0.1106  1
  Bi  Bi2  4  0.0000  0.3980  0.2500  1
  H  H3  4  0.0000  0.1309  0.7500  1
]