data_[Tb9Pr1Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [11.3029]
_cell_length_b [11.3029]
_cell_length_c [3.4997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Tb9PrEr2]
_chemical_formula_sum '[Tb9 Pr1 Er2]'
_cell_volume [387.2028]
_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  6  0.1783  0.3567  0.5000  1.0
  Tb  Tb1  3  0.0000  0.5000  0.0000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Er  Er3  2  0.3333  0.6667  0.0000  1.0
]