data_[Mg4U2Tl4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5287]
_cell_length_b [11.3383]
_cell_length_c [7.9188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2U(TlS3)2]
_chemical_formula_sum '[Mg4 U2 Tl4 S12]'
_cell_volume [562.6030]
_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  0.3312  0.5000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.1677  0.0000  1
  S  S3  8  0.2266  0.1624  0.6902  1
  S  S4  4  0.2398  0.5000  0.6908  1
]