data_[Na6Tm2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8933]
_cell_length_b [7.3000]
_cell_length_c [12.2630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3TmCl6]
_chemical_formula_sum '[Na6 Tm2 Cl12]'
_cell_volume [515.0236]
_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  0.2907  0.5751  0.2629  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0935  0.5672  0.7347  1.0
  Cl  Cl4  4  0.2553  0.2026  0.5834  1.0
  Cl  Cl5  4  0.3711  0.6827  0.5630  1.0
]