data_[Pm21C3Br36]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.8584]
_cell_length_b [14.8584]
_cell_length_c [10.0301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm7CBr12]
_chemical_formula_sum '[Pm21 C3 Br36]'
_cell_volume [1917.6834]
_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
[
  Pm  Pm0  18  0.0433  0.1582  0.8534  1
  Pm  Pm1  3  0.0000  0.0000  0.5000  1
  C  C2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0237  0.5865  0.6643  1
  Br  Br4  18  0.0505  0.1834  0.3370  1
]