data_[Tb9Pm21Er6]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5814]
_cell_length_b [6.5814]
_cell_length_c [33.6063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3Pm7Er2]
_chemical_formula_sum '[Tb9 Pm21 Er6]'
_cell_volume [1260.6366]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.8478  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  Pm  Pm2  18  0.0066  0.5033  0.9158  1
  Pm  Pm3  3  -0.0000  -0.0000  0.5000  1
  Er  Er4  6  0.0000  0.0000  0.3342  1
]