data_[Pm24As3C9I12]
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
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9702]
_cell_length_b [7.9702]
_cell_length_c [23.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm8AsC3I4]
_chemical_formula_sum '[Pm24 As3 C9 I12]'
_cell_volume [1270.3500]
_cell_formula_units_Z [3]
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  18  0.0280  0.5140  0.7743  1
  Pm  Pm1  6  0.0000  0.0000  0.2238  1
  As  As2  3  0.0000  0.0000  0.5000  1
  C  C3  9  0.0000  0.5000  0.5000  1
  I  I4  9  0.0000  0.5000  0.0000  1
  I  I5  3  -0.0000  -0.0000  0.0000  1
]