data_[Hf2Zr14Bi4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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/m]
_cell_length_a [6.0867]
_cell_length_b [6.0560]
_cell_length_c [13.3260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZr7(BiH)2]
_chemical_formula_sum '[Hf2 Zr14 Bi4 H4]'
_cell_volume [482.3349]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1
  Zr  Zr1  8  0.1713  0.2508  0.8115  1
  Zr  Zr2  4  0.1657  0.5000  0.4120  1
  Zr  Zr3  2  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.1511  0.0000  0.3633  1
  H  H5  4  0.0695  0.5000  0.1649  1
]