data_[Tb3Y12Mg3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0005]
_cell_length_b [8.0005]
_cell_length_c [19.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbY4MgS8]
_chemical_formula_sum '[Tb3 Y12 Mg3 S24]'
_cell_volume [1087.3576]
_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  3  0.0000  0.0000  0.9969  1.0
  Y  Y1  9  0.0080  0.5040  0.5010  1.0
  Y  Y2  3  0.0000  0.0000  0.3750  1.0
  Mg  Mg3  3  0.0000  0.0000  0.6249  1.0
  S  S4  9  0.0218  0.5109  0.7530  1.0
  S  S5  9  0.1712  0.3424  0.5820  1.0
  S  S6  3  0.0000  0.0000  0.2417  1.0
  S  S7  3  0.0000  0.0000  0.7535  1.0
]