data_[Na3Tm3In12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8554]
_cell_length_b [7.8554]
_cell_length_c [19.3414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaTm(InS2)4]
_chemical_formula_sum '[Na3 Tm3 In12 S24]'
_cell_volume [1033.6180]
_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  0.6267  1.0
  Tm  Tm1  3  0.0000  0.0000  0.9930  1.0
  In  In2  9  0.0170  0.5085  0.5028  1.0
  In  In3  3  0.0000  0.0000  0.3767  1.0
  S  S4  9  0.0215  0.5107  0.7531  1.0
  S  S5  9  0.1775  0.3550  0.5780  1.0
  S  S6  3  0.0000  0.0000  0.2403  1.0
  S  S7  3  0.0000  0.0000  0.7616  1.0
]