data_[Sr8Mg8Tl4]
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 [12.1628]
_cell_length_b [5.0163]
_cell_length_c [12.5310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Mg2Tl]
_chemical_formula_sum '[Sr8 Mg8 Tl4]'
_cell_volume [692.4289]
_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  0.0099  0.0000  0.3351  1.0
  Sr  Sr1  4  0.1957  0.0000  0.1131  1.0
  Mg  Mg2  4  0.0100  0.5000  0.8846  1.0
  Mg  Mg3  4  0.1533  0.5000  0.5510  1.0
  Tl  Tl4  4  0.2215  0.5000  0.3337  1.0
]