data_[Nd8Mn4Re4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [3.3033]
_cell_length_b [14.4247]
_cell_length_c [9.6214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2MnReN5]
_chemical_formula_sum '[Nd8 Mn4 Re4 N20]'
_cell_volume [458.4532]
_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
[
  Nd  Nd0  4  0.0000  0.1187  0.3076  1.0
  Nd  Nd1  4  0.0000  0.1352  0.6818  1.0
  Mn  Mn2  4  0.0000  0.2175  0.9968  1.0
  Re  Re3  4  0.0000  0.4268  0.4798  1.0
  N  N4  4  0.0000  0.0250  0.0568  1.0
  N  N5  4  0.0000  0.3029  0.3714  1.0
  N  N6  4  0.0000  0.3119  0.6301  1.0
  N  N7  4  0.0000  0.3460  0.9955  1.0
  N  N8  4  0.0000  0.4806  0.3041  1.0
]