data_[Tb8Cr4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2007]
_cell_length_b [13.0371]
_cell_length_c [10.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2CrMoN5]
_chemical_formula_sum '[Tb8 Cr4 Mo4 N20]'
_cell_volume [422.0204]
_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
[
  Tb  Tb0  4  0.0000  0.1094  0.7034  1.0
  Tb  Tb1  4  0.0000  0.1449  0.2907  1.0
  Cr  Cr2  4  0.0000  0.4848  0.4650  1.0
  Mo  Mo3  4  0.0000  0.2217  0.0095  1.0
  N  N4  4  0.0000  0.0428  0.0444  1.0
  N  N5  4  0.0000  0.2834  0.6459  1.0
  N  N6  4  0.0000  0.3169  0.3738  1.0
  N  N7  4  0.0000  0.3692  0.0011  1.0
  N  N8  4  0.0000  0.4899  0.7900  1.0
]