data_[La6Tb4Y12Sc2]
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
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2184]
_cell_length_b [10.7743]
_cell_length_c [11.8599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Tb2Y6Sc]
_chemical_formula_sum '[La6 Tb4 Y12 Sc2]'
_cell_volume [782.3335]
_cell_formula_units_Z [2]
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  0.0000  0.1667  0.5000  1
  Tb  Tb1  4  0.0000  0.3337  0.0000  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Y  Y3  8  0.2454  0.1653  0.2424  1
  Y  Y4  4  0.2496  0.5000  0.2426  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]