data_[Tb12Mg4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4836]
_cell_length_b [6.3504]
_cell_length_c [6.5437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3MgSc2]
_chemical_formula_sum '[Tb12 Mg4 Sc8]'
_cell_volume [682.3617]
_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  8  0.1868  0.0750  0.6727  1
  Tb  Tb1  4  0.0000  0.1869  0.2500  1
  Mg  Mg2  4  0.0000  0.3049  0.7500  1
  Sc  Sc3  8  0.1424  0.4490  0.0152  1
]