data_[Y8Ge4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.0553]
_cell_length_b [8.0553]
_cell_length_c [6.9869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Y2GeBi]
_chemical_formula_sum '[Y8 Ge4 Bi4]'
_cell_volume [453.3626]
_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  0.2228  0.2500  0.6250  1
  Ge  Ge1  4  0.0000  0.0000  0.5000  1
  Bi  Bi2  4  0.0000  0.0000  0.0000  1
]