data_[U2Cu6Se4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8002]
_cell_length_b [7.5901]
_cell_length_c [5.1084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UCu3(SeF3)2]
_chemical_formula_sum '[U2 Cu6 Se4 F12]'
_cell_volume [511.1272]
_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  0.5000  1
  Cu  Cu1  4  0.2500  0.2500  0.0000  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.1618  0.5000  0.9929  1
  F  F4  8  0.0930  0.1947  0.4263  1
  F  F5  4  0.0884  0.0000  0.9068  1
]