data_[Pm12Ir4Pb2Se6]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1677]
_cell_length_b [4.1533]
_cell_length_c [8.8030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6Ir2PbSe3]
_chemical_formula_sum '[Pm12 Ir4 Pb2 Se6]'
_cell_volume [661.4559]
_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  0.0016  0.0000  0.2684  1
  Pm  Pm1  4  0.1752  0.5000  0.0979  1
  Pm  Pm2  4  0.1801  0.5000  0.5560  1
  Ir  Ir3  4  0.1611  0.0000  0.3135  1
  Pb  Pb4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1637  0.0000  0.8250  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]