data_[Tb12Mg3Sc3S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9777]
_cell_length_b [7.9777]
_cell_length_c [19.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb4MgScS8]
_chemical_formula_sum '[Tb12 Mg3 Sc3 S24]'
_cell_volume [1056.5026]
_cell_formula_units_Z [3]
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  9  0.1701  0.3402  0.8325  1.0
  Tb  Tb1  3  0.0000  0.0000  0.6219  1.0
  Mg  Mg2  3  0.0000  0.0000  0.3756  1.0
  Sc  Sc3  3  0.0000  0.0000  0.0033  1.0
  S  S4  9  0.0156  0.5078  0.7480  1.0
  S  S5  9  0.1823  0.3646  0.5847  1.0
  S  S6  3  0.0000  0.0000  0.2464  1.0
  S  S7  3  0.0000  0.0000  0.7573  1.0
]