data_[Sr4Mg6Tl16]
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 [16.8263]
_cell_length_b [7.9848]
_cell_length_c [6.1277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Mg3Tl8]
_chemical_formula_sum '[Sr4 Mg6 Tl16]'
_cell_volume [813.3691]
_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  0.2269  0.0000  0.3519  1
  Mg  Mg1  4  0.0000  0.1993  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  8  0.0942  0.3048  0.4700  1
  Tl  Tl4  4  0.1326  0.5000  0.0024  1
  Tl  Tl5  4  0.1514  0.0000  0.8356  1
]