data_[Tb4Cr2N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5330]
_cell_length_b [5.4606]
_cell_length_c [6.6807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb2CrN4]
_chemical_formula_sum '[Tb4 Cr2 N8]'
_cell_volume [191.8081]
_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  0.2286  0.7500  0.4365  1.0
  Tb  Tb1  2  0.2991  0.7500  0.9634  1.0
  Cr  Cr2  2  0.2561  0.2500  0.1992  1.0
  N  N3  4  0.4689  0.0044  0.2582  1.0
  N  N4  2  0.0526  0.2500  0.3527  1.0
  N  N5  2  0.0859  0.2500  0.9357  1.0
]