data_[Tb1Ho4Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5464]
_cell_length_b [3.5464]
_cell_length_c [19.8015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb(Ho2Er)2]
_chemical_formula_sum '[Tb1 Ho4 Er2]'
_cell_volume [215.6804]
_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  1  0.6667  0.3333  0.6657  1
  Ho  Ho1  1  0.0000  0.0000  0.2380  1
  Ho  Ho2  1  0.0000  0.0000  0.9542  1
  Ho  Ho3  1  0.3333  0.6667  0.5226  1
  Ho  Ho4  1  0.3333  0.6667  0.8103  1
  Er  Er5  1  0.6667  0.3333  0.0967  1
  Er  Er6  1  0.6667  0.3333  0.3804  1
]