data_[Pm2I2Br3]
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 [P2/m]
_cell_length_a [4.5548]
_cell_length_b [4.5211]
_cell_length_c [14.9977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm2I2Br3]
_chemical_formula_sum '[Pm2 I2 Br3]'
_cell_volume [305.1216]
_cell_formula_units_Z [1]
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  0.1044  0.0000  0.1993  1
  I  I1  2  0.4058  0.5000  0.8196  1
  Br  Br2  2  0.1902  0.0000  0.3773  1
  Br  Br3  1  0.0000  0.0000  0.0000  1
]