data_[Mg4Sc8Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8208]
_cell_length_b [15.9602]
_cell_length_c [6.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(ScTl)2]
_chemical_formula_sum '[Mg4 Sc8 Tl8]'
_cell_volume [478.3384]
_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
[
  Mg  Mg0  4  0.0000  0.3852  0.0609  1.0
  Sc  Sc1  4  0.0000  0.0156  0.2853  1.0
  Sc  Sc2  4  0.0000  0.1879  0.8749  1.0
  Tl  Tl3  4  0.0000  0.2009  0.3845  1.0
  Tl  Tl4  4  0.0000  0.4227  0.5287  1.0
]