data_[Tm6Sc2Pb4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5025]
_cell_length_b [4.6616]
_cell_length_c [15.7992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3ScPb2N]
_chemical_formula_sum '[Tm6 Sc2 Pb4 N2]'
_cell_volume [331.6047]
_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  4  0.0000  0.0000  0.1545  1
  Tm  Tm1  2  0.0000  0.5000  0.0000  1
  Sc  Sc2  2  0.0000  0.5000  0.5000  1
  Pb  Pb3  4  0.0000  0.0000  0.3558  1
  N  N4  2  0.0000  0.0000  0.0000  1
]