data_[La2Nd8S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5079]
_cell_length_b [3.9734]
_cell_length_c [11.9866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaNd4S7]
_chemical_formula_sum '[La2 Nd8 S14]'
_cell_volume [621.7175]
_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  2  0.3886  0.5000  0.5799  1
  Nd  Nd1  2  0.0003  0.0000  0.0010  1
  Nd  Nd2  2  0.1116  0.0000  0.4182  1
  Nd  Nd3  2  0.1998  0.5000  0.8132  1
  Nd  Nd4  2  0.3003  0.0000  0.1886  1
  S  S5  2  0.0017  0.5000  0.4983  1
  S  S6  2  0.0453  0.0000  0.7872  1
  S  S7  2  0.1593  0.5000  0.0508  1
  S  S8  2  0.2390  0.5000  0.3492  1
  S  S9  2  0.2573  0.0000  0.6489  1
  S  S10  2  0.3415  0.0000  0.9498  1
  S  S11  2  0.4555  0.5000  0.2148  1
]