data_[Pm6Pb4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2026]
_cell_length_b [3.8711]
_cell_length_c [8.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3(PbI)2]
_chemical_formula_sum '[Pm6 Pb4 I4]'
_cell_volume [469.8405]
_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  0.2268  0.5000  0.2891  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.0817  0.0000  0.4090  1
  I  I3  4  0.1434  0.5000  0.8897  1
]