data_[Na3Tm3Te6S18]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7516]
_cell_length_b [6.7516]
_cell_length_c [20.3764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaTm(TeS3)2]
_chemical_formula_sum '[Na3 Tm3 Te6 S18]'
_cell_volume [804.3983]
_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  0.5113  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0211  1.0
  Te  Te2  3  0.0000  0.0000  0.2354  1.0
  Te  Te3  3  0.0000  0.0000  0.7228  1.0
  S  S4  9  0.0106  0.6753  0.2812  1.0
  S  S5  9  0.0550  0.3466  0.7748  1.0
]