data_[Ca2Tl16Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6419]
_cell_length_b [8.4879]
_cell_length_c [5.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(Tl4Sn)2]
_chemical_formula_sum '[Ca2 Tl16 Sn4]'
_cell_volume [725.1153]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  8  0.0649  0.3154  0.7763  1
  Tl  Tl2  4  0.1525  0.5000  0.3279  1
  Tl  Tl3  4  0.2252  0.0000  0.1008  1
  Sn  Sn4  4  0.1092  0.0000  0.5363  1
]