data_[Sr24Mg4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.7197]
_cell_length_b [11.2934]
_cell_length_c [12.8522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr6MgTl2]
_chemical_formula_sum '[Sr24 Mg4 Tl8]'
_cell_volume [1555.9052]
_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  0.1930  0.2416  1
  Sr  Sr1  8  0.1886  0.5000  0.1583  1
  Sr  Sr2  8  0.2081  0.6839  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Tl  Tl5  4  0.0000  0.3164  0.0000  1
  Tl  Tl6  4  0.0000  0.5000  0.3691  1
]