data_[Mg4Tl12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0801]
_cell_length_b [15.3292]
_cell_length_c [7.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [MgTl3Sb2]
_chemical_formula_sum '[Mg4 Tl12 Sb8]'
_cell_volume [768.9127]
_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  0.0000  0.2500  1.0
  Tl  Tl1  8  0.2499  0.1732  0.5000  1.0
  Tl  Tl2  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb3  8  0.2194  0.8823  0.5000  1.0
]