data_[Tl20Sb8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5443]
_cell_length_b [11.8010]
_cell_length_c [18.0680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl5Sb2As]
_chemical_formula_sum '[Tl20 Sb8 As4]'
_cell_volume [968.9347]
_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
[
  Tl  Tl0  8  0.0000  0.0499  0.1043  1
  Tl  Tl1  8  0.0000  0.3548  0.0318  1
  Tl  Tl2  4  0.0000  0.4759  0.2500  1
  Sb  Sb3  8  0.0000  0.2457  0.6501  1
  As  As4  4  0.0000  0.2086  0.2500  1
]