data_[Pm6Al4Zn18]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4331]
_cell_length_b [9.0761]
_cell_length_c [13.1621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm3Al2Zn9]
_chemical_formula_sum '[Pm6 Al4 Zn18]'
_cell_volume [529.5750]
_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  0.0000  0.2936  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0000  0.1905  0.5000  1
  Zn  Zn3  8  0.0000  0.2808  0.1403  1
  Zn  Zn4  8  0.0000  0.3618  0.3424  1
  Zn  Zn5  2  0.0000  0.5000  0.0000  1
]