data_[Y12Bi12H8]
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 [Cmcm]
_cell_length_a [4.0342]
_cell_length_b [11.8122]
_cell_length_c [15.6700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3Bi3H2]
_chemical_formula_sum '[Y12 Bi12 H8]'
_cell_volume [746.7292]
_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  0.0000  0.3515  0.5509  1
  Y  Y1  4  0.0000  0.3499  0.2500  1
  Bi  Bi2  8  0.0000  0.0612  0.6066  1
  Bi  Bi3  4  0.0000  0.3701  0.7500  1
  H  H4  8  0.0000  0.2287  0.0543  1
]