data_[Nd8V4Re4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  V  1.6300  1.3500  0.7775
  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 [3.4146]
_cell_length_b [13.8302]
_cell_length_c [9.8524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2VReN5]
_chemical_formula_sum '[Nd8 V4 Re4 N20]'
_cell_volume [465.2754]
_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  0.1206  0.6873  1.0
  Nd  Nd1  4  0.0000  0.1336  0.3061  1.0
  V  V2  4  0.0000  0.4430  0.4550  1.0
  Re  Re3  4  0.0000  0.2088  0.0177  1.0
  N  N4  4  0.0000  0.0452  0.0384  1.0
  N  N5  4  0.0000  0.2979  0.6392  1.0
  N  N6  4  0.0000  0.3143  0.3769  1.0
  N  N7  4  0.0000  0.3462  0.0083  1.0
  N  N8  4  0.0000  0.4986  0.2951  1.0
]