data_[Ca6Tl3W3O18]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8004]
_cell_length_b [5.8004]
_cell_length_c [15.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2TlWO6]
_chemical_formula_sum '[Ca6 Tl3 W3 O18]'
_cell_volume [456.9292]
_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  0.0135  1.0
  Ca  Ca1  3  0.0000  0.0000  0.5270  1.0
  Tl  Tl2  3  0.0000  0.0000  0.7853  1.0
  W  W3  3  0.0000  0.0000  0.3213  1.0
  O  O4  9  0.0502  0.3754  0.9302  1.0
  O  O5  9  0.0782  0.6844  0.0749  1.0
]