data_[Tm4Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3792]
_cell_length_b [3.9617]
_cell_length_c [8.1014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TmSeN]
_chemical_formula_sum '[Tm4 Se4 N4]'
_cell_volume [261.1042]
_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  0.3301  0.7449  0.0821  1
  Se  Se1  4  0.3182  0.2495  0.8292  1
  N  N2  4  0.0620  0.5729  0.0152  1
]