data_[Pm2I2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8946]
_cell_length_b [6.1971]
_cell_length_c [4.3007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmIBr2]
_chemical_formula_sum '[Pm2 I2 Br4]'
_cell_volume [357.7816]
_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  0.5000  0.5000  1
  I  I1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.1447  0.5000  0.1208  1
]