data_[U6Tl8Pt2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3384]
_cell_length_b [7.8792]
_cell_length_c [9.3085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U3Tl4PtSe8]
_chemical_formula_sum '[U6 Tl8 Pt2 Se16]'
_cell_volume [908.2595]
_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  4  0.2500  0.2500  0.5000  1
  U  U1  2  0.0000  0.5000  0.5000  1
  Tl  Tl2  4  0.2500  0.2500  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  2  0.0000  0.0000  0.5000  1
  Se  Se6  8  0.0161  0.2289  0.3100  1
  Se  Se7  4  0.2326  0.5000  0.7089  1
  Se  Se8  4  0.2429  0.5000  0.2792  1
]