data_[U2Re2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.5980]
_cell_length_b [3.5610]
_cell_length_c [18.8944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [UReSe4]
_chemical_formula_sum '[U2 Re2 Se8]'
_cell_volume [847.6326]
_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  0.3500  0.2500  0.5051  1
  Re  Re1  2  0.1434  0.7500  0.4990  1
  Se  Se2  2  0.0357  0.2500  0.5693  1
  Se  Se3  2  0.1871  0.2500  0.4066  1
  Se  Se4  2  0.2700  0.7500  0.6031  1
  Se  Se5  2  0.4583  0.7500  0.4158  1
]