data_[Pm12Al3Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9234]
_cell_length_b [4.9234]
_cell_length_c [27.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm4AlSi2]
_chemical_formula_sum '[Pm12 Al3 Si6]'
_cell_volume [585.7637]
_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  6  0.0000  0.0000  0.2065  1
  Pm  Pm1  6  0.0000  0.0000  0.3796  1
  Al  Al2  3  0.0000  0.0000  0.0000  1
  Si  Si3  6  0.0000  0.0000  0.0953  1
]