data_[Pm6Ir2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9084]
_cell_length_b [9.5986]
_cell_length_c [8.1855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pm3IrBr]
_chemical_formula_sum '[Pm6 Ir2 Br2]'
_cell_volume [307.0787]
_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  0.1779  0.1608  1
  Pm  Pm1  2  0.0000  0.0000  0.7409  1
  Ir  Ir2  2  0.0000  0.5000  0.0201  1
  Br  Br3  2  0.0000  0.5000  0.5674  1
]