data_[Y16Bi12H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [12.4307]
_cell_length_b [9.9782]
_cell_length_c [7.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Bi3H2]
_chemical_formula_sum '[Y16 Bi12 H8]'
_cell_volume [906.2439]
_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
[
  Y  Y0  8  0.1101  0.1829  0.5071  1
  Y  Y1  8  0.1676  0.4405  0.1197  1
  Bi  Bi2  8  0.1484  0.1209  0.1164  1
  Bi  Bi3  4  0.0000  0.3757  0.7500  1
  H  H4  8  0.1991  0.3694  0.4347  1
]