data_[U1Nb2Se4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5767]
_cell_length_b [3.5767]
_cell_length_c [21.2051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [UNb2(Se2S)2]
_chemical_formula_sum '[U1 Nb2 Se4 S2]'
_cell_volume [234.9229]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3238  1
  Nb  Nb1  1  0.0000  0.0000  0.9817  1
  Nb  Nb2  1  0.6667  0.3333  0.6535  1
  Se  Se3  1  0.0000  0.0000  0.5754  1
  Se  Se4  1  0.0000  0.0000  0.7315  1
  Se  Se5  1  0.6667  0.3333  0.0598  1
  Se  Se6  1  0.6667  0.3333  0.9037  1
  S  S7  1  0.6667  0.3333  0.2450  1
  S  S8  1  0.6667  0.3333  0.4027  1
]