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 [6.0758]
_cell_length_b [6.0554]
_cell_length_c [13.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1947]
_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 [485.2211]
_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  1.0
  Zr  Zr1  8  0.1704  0.2514  0.8105  1.0
  Zr  Zr2  4  0.1670  0.5000  0.4123  1.0
  Zr  Zr3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1509  0.0000  0.3633  1.0
  H  H5  4  0.0690  0.5000  0.1647  1.0
]