data_[Tm8B6N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.3076]
_cell_length_b [22.9003]
_cell_length_c [3.4269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tm4B3N4]
_chemical_formula_sum '[Tm8 B6 N8]'
_cell_volume [259.5707]
_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  0.1785  0.0000  1
  Tm  Tm1  4  0.0000  0.4291  0.5000  1
  B  B2  4  0.0000  0.2676  0.5000  1
  B  B3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.0000  0.0650  0.0000  1
  N  N5  4  0.0000  0.3335  0.5000  1
]