data_[Pr2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.6685]
_cell_length_b [6.1082]
_cell_length_c [6.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrMoN3]
_chemical_formula_sum '[Pr2 Mo2 N6]'
_cell_volume [142.1752]
_cell_formula_units_Z [2]
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  2  0.0000  0.3371  0.7920  1.0
  Mo  Mo1  2  0.5000  0.1956  0.3130  1.0
  N  N2  2  0.0000  0.2633  0.4127  1.0
  N  N3  2  0.5000  0.0699  0.6916  1.0
  N  N4  2  0.5000  0.4004  0.0951  1.0
]