data_[Tb4Sc4U4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9655]
_cell_length_b [3.6252]
_cell_length_c [5.5235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbScU]
_chemical_formula_sum '[Tb4 Sc4 U4]'
_cell_volume [319.3386]
_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
[
  Tb  Tb0  4  0.0950  0.0000  0.3326  1
  Sc  Sc1  4  0.0825  0.5000  0.8311  1
  U  U2  4  0.2436  0.0000  0.8420  1
]