data_[Sr12Tl12Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0203]
_cell_length_b [12.3364]
_cell_length_c [16.7999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Tl3Cd2]
_chemical_formula_sum '[Sr12 Tl12 Cd8]'
_cell_volume [1040.4683]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.0000  0.0843  0.6070  1
  Sr  Sr1  4  0.0000  0.3577  0.7500  1
  Tl  Tl2  8  0.0000  0.3836  0.5398  1
  Tl  Tl3  4  0.0000  0.3595  0.2500  1
  Cd  Cd4  8  0.0000  0.2110  0.1029  1
]