data_[Pm12Tl2Ge4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7741]
_cell_length_b [4.3451]
_cell_length_c [9.2210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6TlGe2I3]
_chemical_formula_sum '[Pm12 Tl2 Ge4 I6]'
_cell_volume [764.3348]
_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  0.0146  0.0000  0.2453  1
  Pm  Pm1  4  0.1626  0.5000  0.1266  1
  Pm  Pm2  4  0.1791  0.5000  0.5612  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.1676  0.0000  0.3409  1
  I  I5  4  0.1661  0.0000  0.8359  1
  I  I6  2  0.0000  0.5000  0.5000  1
]