data_[Sr4U2Tl2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2_1/c]
_cell_length_a [7.2457]
_cell_length_b [7.9624]
_cell_length_c [12.4639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2UTlSe6]
_chemical_formula_sum '[Sr4 U2 Tl2 Se12]'
_cell_volume [603.4837]
_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
[
  Sr  Sr0  4  0.2984  0.0966  0.2585  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  2  0.5000  0.0000  0.0000  1
  Se  Se3  4  0.0993  0.0501  0.7399  1
  Se  Se4  4  0.2317  0.7084  0.5733  1
  Se  Se5  4  0.3617  0.1732  0.5581  1
]