data_[U1Ni3Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2552]
_cell_length_b [6.8854]
_cell_length_c [18.8960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [UNi3Cl8]
_chemical_formula_sum '[U1 Ni3 Cl8]'
_cell_volume [813.8470]
_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  0.0186  0.0000  0.4957  1
  Ni  Ni1  2  0.6038  0.2541  0.5224  1
  Ni  Ni2  1  0.8945  0.5000  0.4652  1
  Cl  Cl3  2  0.0462  0.2595  0.3954  1
  Cl  Cl4  2  0.2462  0.2475  0.5690  1
  Cl  Cl5  1  0.5435  0.5000  0.4362  1
  Cl  Cl6  1  0.5808  0.0000  0.4411  1
  Cl  Cl7  1  0.7322  0.0000  0.6016  1
  Cl  Cl8  1  0.7597  0.5000  0.5867  1
]