data_[Na3Sm3Tm12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0045]
_cell_length_b [8.0045]
_cell_length_c [19.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaSm(TmS2)4]
_chemical_formula_sum '[Na3 Sm3 Tm12 S24]'
_cell_volume [1106.1027]
_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  0.6269  1.0
  Sm  Sm1  3  0.0000  0.0000  0.9957  1.0
  Tm  Tm2  9  0.0122  0.5061  0.5014  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3742  1.0
  S  S4  9  0.0159  0.5079  0.7551  1.0
  S  S5  9  0.1794  0.3588  0.5766  1.0
  S  S6  3  0.0000  0.0000  0.2419  1.0
  S  S7  3  0.0000  0.0000  0.7620  1.0
]