data_[La8Nd4Mn4S20]
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
  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 [4.0157]
_cell_length_b [16.8924]
_cell_length_c [12.2659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2NdMnS5]
_chemical_formula_sum '[La8 Nd4 Mn4 S20]'
_cell_volume [832.0519]
_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
[
  La  La0  4  0.0000  0.1178  0.6916  1.0
  La  La1  4  0.0000  0.1247  0.3450  1.0
  Nd  Nd2  4  0.0000  0.1818  0.0276  1.0
  Mn  Mn3  4  0.0000  0.4526  0.4245  1.0
  S  S4  4  0.0000  0.0125  0.0133  1.0
  S  S5  4  0.0000  0.2997  0.6909  1.0
  S  S6  4  0.0000  0.3178  0.3598  1.0
  S  S7  4  0.0000  0.3471  0.0177  1.0
  S  S8  4  0.0000  0.4919  0.7534  1.0
]