data_[Pr8V4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3990]
_cell_length_b [14.0721]
_cell_length_c [10.0702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2VMoN5]
_chemical_formula_sum '[Pr8 V4 Mo4 N20]'
_cell_volume [481.6732]
_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
[
  Pr  Pr0  4  0.0000  0.1168  0.6877  1.0
  Pr  Pr1  4  0.0000  0.1360  0.3032  1.0
  V  V2  4  0.0000  0.4454  0.4505  1.0
  Mo  Mo3  4  0.0000  0.2149  0.0203  1.0
  N  N4  4  0.0000  0.0455  0.0340  1.0
  N  N5  4  0.0000  0.2944  0.6432  1.0
  N  N6  4  0.0000  0.3214  0.3819  1.0
  N  N7  4  0.0000  0.3466  0.0087  1.0
  N  N8  4  0.0000  0.4979  0.7945  1.0
]