data_[Cs8Mg2Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [11.7784]
_cell_length_b [11.7784]
_cell_length_c [7.4746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Cs4MgTl5]
_chemical_formula_sum '[Cs8 Mg2 Tl10]'
_cell_volume [1036.9483]
_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
[
  Cs  Cs0  8  0.0941  0.3034  0.5450  1
  Mg  Mg1  2  0.0000  0.0000  0.7550  1
  Tl  Tl2  8  0.0607  0.1790  0.0482  1
  Tl  Tl3  2  0.0000  0.0000  0.3619  1
]