data_[Pm3Pr3C9N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7501]
_cell_length_b [6.7501]
_cell_length_c [15.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PmPr(CN2)3]
_chemical_formula_sum '[Pm3 Pr3 C9 N18]'
_cell_volume [605.0443]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5884  1
  Pm  Pm1  3  0.0000  0.0000  0.9425  1
  C  C2  9  0.0091  0.2826  0.7665  1
  N  N3  9  0.0087  0.4395  0.3602  1
  N  N4  9  0.0973  0.3510  0.5062  1
]