data_[Tm4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [3.7109]
_cell_length_b [14.5627]
_cell_length_c [5.3633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [TmMoN3]
_chemical_formula_sum '[Tm4 Mo4 N12]'
_cell_volume [289.8370]
_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  0.2500  0.1683  0.7920  1.0
  Mo  Mo1  4  0.2500  0.4103  0.8437  1.0
  N  N2  4  0.2500  0.0552  0.4486  1.0
  N  N3  4  0.2500  0.3001  0.0218  1.0
  N  N4  4  0.2500  0.3855  0.5149  1.0
]