data_[Na3Nd12Sm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [R3m]
_cell_length_a [8.3749]
_cell_length_b [8.3749]
_cell_length_c [20.4000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaNd4SmS8]
_chemical_formula_sum '[Na3 Nd12 Sm3 S24]'
_cell_volume [1239.1238]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.3753  1.0
  Nd  Nd1  9  0.1720  0.3439  0.8320  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6246  1.0
  Sm  Sm3  3  0.0000  0.0000  0.0043  1.0
  S  S4  9  0.0300  0.5150  0.7526  1.0
  S  S5  9  0.1785  0.3570  0.5815  1.0
  S  S6  3  0.0000  0.0000  0.2395  1.0
  S  S7  3  0.0000  0.0000  0.7581  1.0
]