data_[La4Tb4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1744]
_cell_length_b [3.5592]
_cell_length_c [6.1130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTbSc]
_chemical_formula_sum '[La4 Tb4 Sc4]'
_cell_volume [374.2423]
_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
[
  La  La0  4  0.0872  0.5000  0.2575  1.0
  Tb  Tb1  4  0.0926  0.0000  0.7644  1.0
  Sc  Sc2  4  0.2479  0.5000  0.7538  1.0
]