data_[Tm8Nb4Si4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1167]
_cell_length_b [14.4273]
_cell_length_c [9.4649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm2NbSiN5]
_chemical_formula_sum '[Tm8 Nb4 Si4 N20]'
_cell_volume [425.5915]
_cell_formula_units_Z [4]
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  0.1071  0.6862  1.0
  Tm  Tm1  4  0.0000  0.1143  0.3026  1.0
  Nb  Nb2  4  0.0000  0.2209  0.0179  1.0
  Si  Si3  4  0.0000  0.4475  0.4502  1.0
  N  N4  4  0.0000  0.0414  0.0401  1.0
  N  N5  4  0.0000  0.2920  0.6636  1.0
  N  N6  4  0.0000  0.3292  0.3770  1.0
  N  N7  4  0.0000  0.3531  1.0000  1.0
  N  N8  4  0.0000  0.4997  0.2864  1.0
]