data_[Tb8Mn4Re4N20]
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
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2291]
_cell_length_b [14.1803]
_cell_length_c [9.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2MnReN5]
_chemical_formula_sum '[Tb8 Mn4 Re4 N20]'
_cell_volume [428.7324]
_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  0.1193  0.3070  1.0
  Tb  Tb1  4  0.0000  0.1340  0.6798  1.0
  Mn  Mn2  4  0.0000  0.2191  0.9967  1.0
  Re  Re3  4  0.0000  0.4276  0.4798  1.0
  N  N4  4  0.0000  0.0235  0.0639  1.0
  N  N5  4  0.0000  0.3024  0.3665  1.0
  N  N6  4  0.0000  0.3099  0.6346  1.0
  N  N7  4  0.0000  0.3501  0.9958  1.0
  N  N8  4  0.0000  0.4825  0.2999  1.0
]