data_[Tm12Pb6S4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4856]
_cell_length_b [11.2398]
_cell_length_c [7.9275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Pb3S2N]
_chemical_formula_sum '[Tm12 Pb6 S4 N2]'
_cell_volume [555.4770]
_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
[
  Tm  Tm0  8  0.2144  0.1537  0.1813  1.0
  Tm  Tm1  4  0.2434  0.0000  0.8120  1.0
  Pb  Pb2  4  0.0000  0.1812  0.5000  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0000  0.3348  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]