data_[Pm3Ho12Al1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9388]
_cell_length_b [4.9388]
_cell_length_c [20.0198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pm3Ho12Al]
_chemical_formula_sum '[Pm3 Ho12 Al1]'
_cell_volume [488.3104]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2461  1
  Pm  Pm1  1  0.0000  0.0000  0.5000  1
  Ho  Ho2  4  0.0000  0.5000  0.1160  1
  Ho  Ho3  4  0.0000  0.5000  0.3719  1
  Ho  Ho4  2  0.5000  0.5000  0.2414  1
  Ho  Ho5  1  0.5000  0.5000  0.0000  1
  Ho  Ho6  1  0.5000  0.5000  0.5000  1
  Al  Al7  1  0.0000  0.0000  0.0000  1
]