data_[Nd10S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.4009]
_cell_length_b [3.9702]
_cell_length_c [11.9565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5S7]
_chemical_formula_sum '[Nd10 S14]'
_cell_volume [614.5691]
_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
[
  Nd  Nd0  4  0.1119  0.0000  0.4206  1.0
  Nd  Nd1  4  0.1993  0.5000  0.8110  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0434  0.0000  0.7848  1.0
  S  S4  4  0.1595  0.5000  0.0507  1.0
  S  S5  4  0.2399  0.5000  0.3516  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]