data_[Pm6Pr2C16]
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
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.1674]
_cell_length_b [7.1674]
_cell_length_c [7.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pm3PrC8]
_chemical_formula_sum '[Pm6 Pr2 C16]'
_cell_volume [407.5875]
_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
[
  Pm  Pm0  4  0.0000  0.5000  0.2500  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Pm  Pm2  2  0.0000  0.0000  0.5000  1
  C  C3  8  0.1672  0.1672  0.2435  1
  C  C4  8  0.2339  0.2339  0.6406  1
]