data_[Tb6Nd2Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8193]
_cell_length_b [11.7791]
_cell_length_c [6.7610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Nd(TmS3)2]
_chemical_formula_sum '[Tb6 Nd2 Tm4 S12]'
_cell_volume [511.4583]
_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  0.0000  0.1606  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm3  4  0.0000  0.3341  0.0000  1.0
  S  S4  8  0.2437  0.3267  0.7497  1.0
  S  S5  4  0.2360  0.5000  0.2451  1.0
]