data_[La4Ce2Nd6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8249]
_cell_length_b [4.0855]
_cell_length_c [8.2064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ce(NdS2)3]
_chemical_formula_sum '[La4 Ce2 Nd6 S12]'
_cell_volume [581.9596]
_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  0.1655  0.0000  0.3317  1
  Ce  Ce1  2  0.0000  0.5000  0.0000  1
  Nd  Nd2  4  0.1673  0.0000  0.8354  1
  Nd  Nd3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0020  0.0000  0.7528  1
  S  S5  4  0.1656  0.5000  0.0798  1
  S  S6  4  0.1661  0.5000  0.5866  1
]