data_[Sc12U4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3748]
_cell_length_b [3.2812]
_cell_length_c [10.9643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.3336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3UC2]
_chemical_formula_sum '[Sc12 U4 C8]'
_cell_volume [415.3277]
_cell_formula_units_Z [4]
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
[
  Sc  Sc0  4  0.0507  0.0000  0.1903  1
  Sc  Sc1  4  0.1944  0.5000  0.0539  1
  Sc  Sc2  4  0.2036  0.0000  0.5681  1
  U  U3  4  0.0435  0.5000  0.6508  1
  C  C4  4  0.1215  0.0000  0.8585  1
  C  C5  4  0.1219  0.5000  0.3749  1
]