data_[Na3Sm3In12S24]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8805]
_cell_length_b [7.8805]
_cell_length_c [19.6632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaSm(InS2)4]
_chemical_formula_sum '[Na3 Sm3 In12 S24]'
_cell_volume [1057.5168]
_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  0.6295  1.0
  Sm  Sm1  3  0.0000  0.0000  0.9921  1.0
  In  In2  9  0.0164  0.5082  0.5028  1.0
  In  In3  3  0.0000  0.0000  0.3781  1.0
  S  S4  9  0.0177  0.5089  0.7550  1.0
  S  S5  9  0.1741  0.3482  0.5744  1.0
  S  S6  3  0.0000  0.0000  0.2410  1.0
  S  S7  3  0.0000  0.0000  0.7627  1.0
]