data_[Tb8Mn4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2175]
_cell_length_b [13.5586]
_cell_length_c [9.6765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2MnCrN5]
_chemical_formula_sum '[Tb8 Mn4 Cr4 N20]'
_cell_volume [422.1376]
_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  0.1223  0.6729  1.0
  Tb  Tb1  4  0.0000  0.1352  0.3132  1.0
  Mn  Mn2  4  0.0000  0.2076  0.0239  1.0
  Cr  Cr3  4  0.0000  0.4385  0.4448  1.0
  N  N4  4  0.0000  0.0503  0.0348  1.0
  N  N5  4  0.0000  0.2932  0.6561  1.0
  N  N6  4  0.0000  0.3128  0.3845  1.0
  N  N7  4  0.0000  0.3475  0.0045  1.0
  N  N8  4  0.0000  0.4977  0.2892  1.0
]