data_[Pm12C4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4249]
_cell_length_b [3.6863]
_cell_length_c [7.6109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6C2O]
_chemical_formula_sum '[Pm12 C4 O2]'
_cell_volume [441.7944]
_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  0.0062  0.0000  0.2326  1
  Pm  Pm1  4  0.1595  0.5000  0.0986  1
  Pm  Pm2  4  0.1717  0.5000  0.5661  1
  C  C3  4  0.1639  0.0000  0.3272  1
  O  O4  2  0.0000  0.5000  0.0000  1
]