data_[Pr8Zr4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  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 [3.4493]
_cell_length_b [13.7609]
_cell_length_c [10.6455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2ZrMoN5]
_chemical_formula_sum '[Pr8 Zr4 Mo4 N20]'
_cell_volume [505.2964]
_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  0.1111  0.6896  1.0
  Pr  Pr1  4  0.0000  0.1464  0.3005  1.0
  Zr  Zr2  4  0.0000  0.2158  0.0123  1.0
  Mo  Mo3  4  0.0000  0.4737  0.4565  1.0
  N  N4  4  0.0000  0.0444  0.0395  1.0
  N  N5  4  0.0000  0.2841  0.6533  1.0
  N  N6  4  0.0000  0.3216  0.3822  1.0
  N  N7  4  0.0000  0.3708  0.0018  1.0
  N  N8  4  0.0000  0.4909  0.7882  1.0
]