data_[Ba16Tb8Cr8N32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Fddd]
_cell_length_a [5.6956]
_cell_length_b [11.6485]
_cell_length_c [21.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Ba2TbCrN4]
_chemical_formula_sum '[Ba16 Tb8 Cr8 N32]'
_cell_volume [1433.9203]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  16  0.0000  0.0000  0.1852  1
  Tb  Tb1  8  0.0000  0.0000  0.0000  1
  Cr  Cr2  8  0.0000  0.0000  0.5000  1
  N  N3  32  0.0572  0.1582  0.7087  1
]