data_[La2Tb2Nd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9794]
_cell_length_b [3.9625]
_cell_length_c [10.6086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTbNdS3]
_chemical_formula_sum '[La2 Tb2 Nd2 S6]'
_cell_volume [286.5041]
_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  0.2323  0.7500  0.9450  1.0
  La  La1  2  0.3487  0.2500  0.3037  1.0
  Nd  Nd2  2  0.1264  0.2500  0.6330  1.0
  S  S3  2  0.0516  0.7500  0.1517  1.0
  S  S4  2  0.2814  0.7500  0.4940  1.0
  S  S5  2  0.4534  0.2500  0.8451  1.0
]