data_[Ce3U6Cr3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  U  1.3800  1.7500  0.9913
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7772]
_cell_length_b [6.7772]
_cell_length_c [18.4992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeU2CrS6]
_chemical_formula_sum '[Ce3 U6 Cr3 S18]'
_cell_volume [735.8499]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  0.0000  0.0000  0.8159  1
  U  U1  3  0.0000  0.0000  0.0100  1
  U  U2  3  0.0000  0.0000  0.5176  1
  Cr  Cr3  3  0.0000  0.0000  0.3252  1
  S  S4  9  0.0054  0.3629  0.5848  1
  S  S5  9  0.0448  0.6730  0.0794  1
]