data_[Pm8Te10I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.3066]
_cell_length_b [10.9915]
_cell_length_c [7.7882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pm4Te5I]
_chemical_formula_sum '[Pm8 Te10 I2]'
_cell_volume [796.6819]
_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  0.2486  0.9954  1
  Pm  Pm1  4  0.2112  0.5000  0.4507  1
  Te  Te2  8  0.2446  0.1994  0.2646  1
  Te  Te3  2  0.0000  0.5000  0.1450  1
  I  I4  2  0.0000  0.0000  0.7823  1
]