data_[Sr6Mg8Tl8]
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 [4.8244]
_cell_length_b [8.3342]
_cell_length_c [16.4517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3(MgTl)4]
_chemical_formula_sum '[Sr6 Mg8 Tl8]'
_cell_volume [661.4714]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.1229  1.0
  Sr  Sr1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  8  0.0000  0.1912  0.3261  1.0
  Tl  Tl3  4  0.0000  0.3053  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2208  1.0
]