data_[Cs1Mg2Tl9]
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 [P6/mmm]
_cell_length_a [10.3635]
_cell_length_b [10.3635]
_cell_length_c [4.2017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [CsMg2Tl9]
_chemical_formula_sum '[Cs1 Mg2 Tl9]'
_cell_volume [390.8089]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  2  0.3333  0.6667  0.0000  1.0
  Tl  Tl2  6  0.1960  0.3919  0.5000  1.0
  Tl  Tl3  3  0.0000  0.5000  0.0000  1.0
]