data_[Tb6Pm1Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.9407]
_cell_length_b [5.9407]
_cell_length_c [10.6012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Tb6PmAl6]
_chemical_formula_sum '[Tb6 Pm1 Al6]'
_cell_volume [324.0118]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.3327  1
  Tb  Tb1  2  0.3333  0.6667  0.0000  1
  Tb  Tb2  2  0.3333  0.6667  0.5000  1
  Pm  Pm3  1  0.0000  0.0000  0.0000  1
  Al  Al4  6  0.0000  0.5000  0.2452  1
]