data_[La6Nd2Sn4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3050]
_cell_length_b [5.3443]
_cell_length_c [16.8294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3NdSn2S]
_chemical_formula_sum '[La6 Nd2 Sn4 S2]'
_cell_volume [477.1348]
_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
[
  La  La0  4  0.0000  0.0000  0.1719  1
  La  La1  2  0.0000  0.5000  0.0000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Sn  Sn3  4  0.0000  0.0000  0.3666  1
  S  S4  2  0.0000  0.0000  0.0000  1
]