data_[Ce4Pm12C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9745]
_cell_length_b [3.6334]
_cell_length_c [12.6272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePm3C2]
_chemical_formula_sum '[Ce4 Pm12 C8]'
_cell_volume [600.5925]
_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
[
  Ce  Ce0  4  0.1469  0.0000  0.7022  1
  Pm  Pm1  4  0.1386  0.0000  0.1972  1
  Pm  Pm2  4  0.1422  0.5000  0.9470  1
  Pm  Pm3  4  0.1430  0.5000  0.4529  1
  C  C4  4  0.2474  0.5000  0.8687  1
  C  C5  4  0.2487  0.5000  0.3711  1
]