data_[Sr16Mg2Tl4]
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 [20.8325]
_cell_length_b [5.8013]
_cell_length_c [8.3650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8MgTl2]
_chemical_formula_sum '[Sr16 Mg2 Tl4]'
_cell_volume [948.5450]
_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  0.0318  0.0000  0.7800  1.0
  Sr  Sr1  4  0.0989  0.5000  0.4649  1.0
  Sr  Sr2  4  0.1727  0.5000  0.9586  1.0
  Sr  Sr3  4  0.1965  0.0000  0.3040  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.1824  0.0000  0.6966  1.0
]