data_[Pr1Ho1C1N2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8033]
_cell_length_b [3.8033]
_cell_length_c [8.2393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrHoC(NO)2]
_chemical_formula_sum '[Pr1 Ho1 C1 N2 O2]'
_cell_volume [103.2171]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.6801  1
  Ho  Ho1  1  0.3333  0.6667  0.3217  1
  C  C2  1  0.0000  0.0000  0.0062  1
  N  N3  1  0.0000  0.0000  0.1558  1
  N  N4  1  0.0000  0.0000  0.8561  1
  O  O5  1  0.3333  0.6667  0.5927  1
  O  O6  1  0.6667  0.3333  0.3874  1
]