data_[Y16Tl4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3941]
_cell_length_b [4.3492]
_cell_length_c [19.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y4TlSb]
_chemical_formula_sum '[Y16 Tl4 Sb4]'
_cell_volume [701.8498]
_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  4  0.0028  0.2500  0.9312  1
  Y  Y1  4  0.0456  0.2500  0.2147  1
  Y  Y2  4  0.1243  0.2500  0.6575  1
  Y  Y3  4  0.1521  0.2500  0.4340  1
  Tl  Tl4  4  0.2307  0.7500  0.5517  1
  Sb  Sb5  4  0.2454  0.7500  0.3101  1
]