data_[Tb2Pm1Dy9]
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
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0250]
_cell_length_b [5.0250]
_cell_length_c [15.0799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb2PmDy9]
_chemical_formula_sum '[Tb2 Pm1 Dy9]'
_cell_volume [380.7782]
_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  0.3340  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Dy  Dy2  4  0.0000  0.5000  0.1681  1
  Dy  Dy3  2  0.0000  0.5000  0.5000  1
  Dy  Dy4  2  0.5000  0.5000  0.3343  1
  Dy  Dy5  1  0.5000  0.5000  0.0000  1
]