data_[Pm24Cu3Si9I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5696]
_cell_length_b [8.5696]
_cell_length_c [22.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm8CuSi3I4]
_chemical_formula_sum '[Pm24 Cu3 Si9 I12]'
_cell_volume [1452.7065]
_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  0.0012  0.5006  0.7332  1
  Pm  Pm1  6  0.0000  0.0000  0.2671  1
  Si  Si2  9  0.0000  0.5000  0.0000  1
  Cu  Cu3  3  -0.0000  -0.0000  0.0000  1
  I  I4  9  0.0000  0.5000  0.5000  1
  I  I5  3  -0.0000  -0.0000  0.5000  1
]