data_[Tb4Mg16Sc2]
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/m]
_cell_length_a [15.9137]
_cell_length_b [4.9674]
_cell_length_c [7.1690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Mg8Sc]
_chemical_formula_sum '[Tb4 Mg16 Sc2]'
_cell_volume [541.4613]
_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
[
  Tb  Tb0  4  0.2224  0.0000  0.6450  1
  Mg  Mg1  4  0.0261  0.0000  0.7230  1
  Mg  Mg2  4  0.0876  0.5000  0.4511  1
  Mg  Mg3  4  0.1402  0.0000  0.1469  1
  Mg  Mg4  4  0.1712  0.5000  0.8903  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]