data_[U4Ni2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.4587]
_cell_length_b [6.4587]
_cell_length_c [11.5271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [U2NiSe6]
_chemical_formula_sum '[U4 Ni2 Se12]'
_cell_volume [480.8518]
_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  0.0000  0.0000  0.1762  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  Se  Se2  8  0.1967  0.8033  0.3527  1
  Se  Se3  4  0.1975  0.8025  0.0000  1
]