data_[Pm12Ge4S6I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2117]
_cell_length_b [4.1732]
_cell_length_c [8.4819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6Ge2S3I]
_chemical_formula_sum '[Pm12 Ge4 S6 I2]'
_cell_volume [630.1054]
_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  0.0032  0.0000  0.2872  1
  Pm  Pm1  4  0.1667  0.5000  0.5839  1
  Pm  Pm2  4  0.1798  0.5000  0.0974  1
  Ge  Ge3  4  0.1663  0.0000  0.3321  1
  S  S4  4  0.1614  0.0000  0.8364  1
  S  S5  2  0.0000  0.5000  0.5000  1
  I  I6  2  0.0000  0.5000  0.0000  1
]