data_[Tl30In4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4151]
_cell_length_b [10.8813]
_cell_length_c [8.8018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl15(InSn)2]
_chemical_formula_sum '[Tl30 In4 Sn4]'
_cell_volume [1266.4948]
_cell_formula_units_Z [2]
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  0.0826  0.2552  0.6633  1
  Tl  Tl1  8  0.1683  0.1746  0.3342  1
  Tl  Tl2  4  0.0000  0.3182  0.0000  1
  Tl  Tl3  4  0.1654  0.5000  0.8449  1
  Tl  Tl4  4  0.2500  0.2500  0.0000  1
  Tl  Tl5  2  0.0000  0.0000  0.5000  1
  In  In6  4  0.0832  0.0000  0.9087  1
  Sn  Sn7  4  0.2443  0.5000  0.2745  1
]