data_[Na3Pm12Sm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3169]
_cell_length_b [8.3169]
_cell_length_c [20.3237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaPm4SmS8]
_chemical_formula_sum '[Na3 Pm12 Sm3 S24]'
_cell_volume [1217.4734]
_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  0.3751  1
  Pm  Pm1  9  0.1721  0.3442  0.8320  1
  Pm  Pm2  3  0.0000  0.0000  0.6248  1
  Sm  Sm3  3  0.0000  0.0000  0.0042  1
  S  S4  9  0.0294  0.5147  0.7532  1
  S  S5  9  0.1779  0.3558  0.5810  1
  S  S6  3  0.0000  0.0000  0.2393  1
  S  S7  3  0.0000  0.0000  0.7581  1
]