data_[Ca4Tl4Te2O12]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9440]
_cell_length_b [10.1276]
_cell_length_c [6.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl2TeO6]
_chemical_formula_sum '[Ca4 Tl4 Te2 O12]'
_cell_volume [391.4629]
_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  0.3349  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1686  0.0000  1.0
  Te  Te2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1922  0.1414  0.6618  1.0
  O  O4  4  0.2205  0.0000  0.3224  1.0
]