data_[K4Pr4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [14.0047]
_cell_length_b [3.9396]
_cell_length_c [8.0366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPrMoN3]
_chemical_formula_sum '[K4 Pr4 Mo4 N12]'
_cell_volume [427.7963]
_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
[
  K  K0  4  0.1425  0.5000  0.0685  1
  Pr  Pr1  4  0.1631  0.5000  0.5960  1
  Mo  Mo2  4  0.0077  0.0000  0.3229  1
  N  N3  4  0.0122  0.5000  0.3453  1
  N  N4  4  0.1297  0.0000  0.7925  1
  N  N5  4  0.1548  0.0000  0.3559  1
]