data_[Pm8Se6I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1965]
_cell_length_b [4.1965]
_cell_length_c [29.0513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Pm4Se3I]
_chemical_formula_sum '[Pm8 Se6 I2]'
_cell_volume [443.0746]
_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  0.0000  0.1716  1
  Pm  Pm1  4  0.3333  0.6667  0.4382  1
  Se  Se2  4  0.3333  0.6667  0.8826  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
  I  I4  2  0.3333  0.6667  0.2500  1
]