data_[Mg4U2Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8169]
_cell_length_b [11.8453]
_cell_length_c [8.1831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2U(TlSe3)2]
_chemical_formula_sum '[Mg4 U2 Tl4 Se12]'
_cell_volume [634.0369]
_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
[
  Mg  Mg0  4  0.0000  0.3301  0.5000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.1659  0.0000  1
  Se  Se3  8  0.2300  0.1624  0.6981  1
  Se  Se4  4  0.2395  0.5000  0.6978  1
]