data_[Ca3Tl6Sn3O18]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7343]
_cell_length_b [5.7343]
_cell_length_c [15.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaTl2SnO6]
_chemical_formula_sum '[Ca3 Tl6 Sn3 O18]'
_cell_volume [432.2321]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8091  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0275  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5316  1.0
  Sn  Sn3  3  0.0000  0.0000  0.3174  1.0
  O  O4  9  0.0029  0.7204  0.4089  1.0
  O  O5  9  0.0030  0.3701  0.5830  1.0
]