data_[Tl4Zn4In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3200]
_cell_length_b [9.6608]
_cell_length_c [12.3378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlZnIn4]
_chemical_formula_sum '[Tl4 Zn4 In16]'
_cell_volume [623.5029]
_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  4  0.0706  0.0000  0.1387  1
  Zn  Zn1  4  0.0000  0.2506  0.5000  1
  In  In2  8  0.1384  0.3367  0.2742  1
  In  In3  4  0.0000  0.3341  0.0000  1
  In  In4  4  0.2101  0.0000  0.4121  1
]