data_[Pr8Ta4Ru4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3240]
_cell_length_b [14.5983]
_cell_length_c [10.2091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TaRuN5]
_chemical_formula_sum '[Pr8 Ta4 Ru4 N20]'
_cell_volume [495.4007]
_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  0.1194  0.6920  1.0
  Pr  Pr1  4  0.0000  0.1240  0.3125  1.0
  Ta  Ta2  4  0.0000  0.2124  0.0147  1.0
  Ru  Ru3  4  0.0000  0.4483  0.4592  1.0
  N  N4  4  0.0000  0.0319  0.0404  1.0
  N  N5  4  0.0000  0.2974  0.6471  1.0
  N  N6  4  0.0000  0.3163  0.3749  1.0
  N  N7  4  0.0000  0.3420  0.9991  1.0
  N  N8  4  0.0000  0.4970  0.2842  1.0
]