data_[Sr12Tl12Cd12]
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 [Ima2]
_cell_length_a [8.0579]
_cell_length_b [15.4399]
_cell_length_c [8.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [SrTlCd]
_chemical_formula_sum '[Sr12 Tl12 Cd12]'
_cell_volume [1107.0017]
_cell_formula_units_Z [12]
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  4  0.2500  0.1846  0.5590  1.0
  Sr  Sr1  4  0.2500  0.5112  0.6364  1.0
  Sr  Sr2  4  0.2500  0.7019  0.0437  1.0
  Tl  Tl3  8  0.0286  0.1667  0.2454  1.0
  Tl  Tl4  4  0.2500  0.5108  0.2481  1.0
  Cd  Cd5  8  0.0176  0.1412  0.8893  1.0
  Cd  Cd6  4  0.0000  0.0000  0.4635  1.0
]