data_[Pm2Sb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0828]
_cell_length_b [13.2926]
_cell_length_c [7.0789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSbBr6]
_chemical_formula_sum '[Pm2 Sb2 Br12]'
_cell_volume [636.9181]
_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  2  0.0000  0.0000  0.0000  1
  Sb  Sb1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2437  0.3533  0.7457  1
  Br  Br3  4  0.2493  0.5000  0.2534  1
]