data_[Tb2Mg6Sc6]
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 [P6_3/m]
_cell_length_a [8.7346]
_cell_length_b [8.7346]
_cell_length_c [5.2918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tb(MgSc)3]
_chemical_formula_sum '[Tb2 Mg6 Sc6]'
_cell_volume [349.6390]
_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  2  0.3333  0.6667  0.7500  1
  Mg  Mg1  6  0.0888  0.6194  0.2500  1
  Sc  Sc2  6  0.0315  0.8038  0.7500  1
]