data_[Ca4Tl4Sb2O12]
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
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9863]
_cell_length_b [10.2104]
_cell_length_c [6.3261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl2SbO6]
_chemical_formula_sum '[Ca4 Tl4 Sb2 O12]'
_cell_volume [374.0237]
_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  4  0.0000  0.3354  0.5000  1
  Tl  Tl1  4  0.0000  0.1664  0.0000  1
  Sb  Sb2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1944  0.1459  0.6743  1
  O  O4  4  0.2244  0.0000  0.3038  1
]