data_[Pm8As2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4311]
_cell_length_b [4.2698]
_cell_length_c [8.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm4AsI5]
_chemical_formula_sum '[Pm8 As2 I10]'
_cell_volume [727.6194]
_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  0.0005  0.0000  0.7872  1
  Pm  Pm1  4  0.1473  0.5000  0.0734  1
  As  As2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1660  0.0000  0.3382  1
  I  I4  4  0.1713  0.0000  0.8243  1
  I  I5  2  0.0000  0.5000  0.5000  1
]