data_[Tb2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5608]
_cell_length_b [6.0173]
_cell_length_c [6.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TbMoN3]
_chemical_formula_sum '[Tb2 Mo2 N6]'
_cell_volume [133.9138]
_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
[
  Tb  Tb0  2  0.0000  0.3469  0.7851  1.0
  Mo  Mo1  2  0.5000  0.1926  0.3129  1.0
  N  N2  2  0.0000  0.2737  0.4184  1.0
  N  N3  2  0.5000  0.0842  0.7037  1.0
  N  N4  2  0.5000  0.3915  0.0845  1.0
]