data_[Na6La4Tm2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1582]
_cell_length_b [12.4020]
_cell_length_c [7.0810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3La2TmS6]
_chemical_formula_sum '[Na6 La4 Tm2 S12]'
_cell_volume [591.8154]
_cell_formula_units_Z [2]
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  4  0.0000  0.1646  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.0000  0.3332  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2361  0.1591  0.2312  1.0
  S  S5  4  0.2420  0.0000  0.7718  1.0
]