data_[U2Mn4Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  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 [6.0364]
_cell_length_b [10.4647]
_cell_length_c [8.6133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UMn2(TlS2)3]
_chemical_formula_sum '[U2 Mn4 Tl6 S12]'
_cell_volume [525.1728]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  4  0.0000  0.3332  0.0000  1
  Tl  Tl2  4  0.0000  0.1671  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2462  0.1832  0.1683  1
  S  S5  4  0.1959  0.5000  0.1681  1
]