data_[Nd8Sm6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4098]
_cell_length_b [11.4116]
_cell_length_c [8.0618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Sm3S8]
_chemical_formula_sum '[Nd8 Sm6 S16]'
_cell_volume [742.9757]
_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  0.2500  0.2500  0.5000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.2500  0.2500  0.0000  1
  Sm  Sm4  2  0.0000  0.0000  0.5000  1
  S  S5  4  0.0000  0.2483  0.5000  1
  S  S6  4  0.0000  0.2513  0.0000  1
  S  S7  4  0.2495  0.0000  0.5025  1
  S  S8  4  0.2497  0.0000  0.9965  1
]