data_[Ca4Tl4Os2O12]
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
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8341]
_cell_length_b [10.0165]
_cell_length_c [6.6029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl2OsO6]
_chemical_formula_sum '[Ca4 Tl4 Os2 O12]'
_cell_volume [373.8263]
_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  0.3358  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1655  0.0000  1.0
  Os  Os2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1889  0.1427  0.6663  1.0
  O  O4  4  0.2226  0.0000  0.3178  1.0
]