data_[Pm8C2Br6]
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 [Pmmn]
_cell_length_a [5.6012]
_cell_length_b [10.3491]
_cell_length_c [8.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pm4CBr3]
_chemical_formula_sum '[Pm8 C2 Br6]'
_cell_volume [480.2737]
_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  0.2103  0.7930  1
  Pm  Pm1  2  0.0000  0.0000  0.1575  1
  Pm  Pm2  2  0.0000  0.5000  0.1051  1
  C  C3  2  0.0000  0.0000  0.8794  1
  Br  Br4  4  0.0000  0.2735  0.3624  1
  Br  Br5  2  0.0000  0.5000  0.7297  1
]