data_[Pr4Hf8Rh4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hf  1.3000  1.5500  0.8500
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2341]
_cell_length_b [11.3532]
_cell_length_c [11.4696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrHf2RhN4]
_chemical_formula_sum '[Pr4 Hf8 Rh4 N16]'
_cell_volume [421.1289]
_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  0.1147  0.7500  1
  Hf  Hf1  8  0.0000  0.3687  0.5502  1
  Rh  Rh2  4  0.0000  0.1501  0.2500  1
  N  N3  8  0.0000  0.2677  0.1043  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4571  0.7500  1
]