data_[Na2Tm4Pb6Se12]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6419]
_cell_length_b [4.0756]
_cell_length_c [9.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTm2(PbSe2)3]
_chemical_formula_sum '[Na2 Tm4 Pb6 Se12]'
_cell_volume [670.7965]
_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  2  0.0000  0.5000  0.0000  1
  Tm  Tm1  4  0.1649  0.0000  0.3332  1
  Pb  Pb2  4  0.1601  0.0000  0.8386  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0104  0.0000  0.2544  1
  Se  Se5  4  0.1718  0.5000  0.1211  1
  Se  Se6  4  0.1729  0.5000  0.5570  1
]