data_[Tb4Nd8Mn4S20]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9330]
_cell_length_b [16.6242]
_cell_length_c [12.0032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbNd2MnS5]
_chemical_formula_sum '[Tb4 Nd8 Mn4 S20]'
_cell_volume [784.8154]
_cell_formula_units_Z [4]
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  0.1837  0.0250  1.0
  Nd  Nd1  4  0.0000  0.1185  0.6915  1.0
  Nd  Nd2  4  0.0000  0.1223  0.3433  1.0
  Mn  Mn3  4  0.0000  0.4502  0.4269  1.0
  S  S4  4  0.0000  0.0163  0.0208  1.0
  S  S5  4  0.0000  0.3006  0.6858  1.0
  S  S6  4  0.0000  0.3131  0.3604  1.0
  S  S7  4  0.0000  0.3468  0.0167  1.0
  S  S8  4  0.0000  0.4931  0.7535  1.0
]