data_[Sr8Mg4Tl8]
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 [C2/m]
_cell_length_a [12.6633]
_cell_length_b [4.9547]
_cell_length_c [12.1817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2MgTl2]
_chemical_formula_sum '[Sr8 Mg4 Tl8]'
_cell_volume [674.9410]
_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  4  0.0014  0.0000  0.6691  1
  Sr  Sr1  4  0.1828  0.0000  0.1039  1
  Mg  Mg2  4  0.2190  0.5000  0.3659  1
  Tl  Tl3  4  0.0218  0.5000  0.8783  1
  Tl  Tl4  4  0.1419  0.5000  0.5728  1
]