data_[Y8Ho1Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.3349]
_cell_length_b [9.3349]
_cell_length_c [6.5686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Y8HoEr6]
_chemical_formula_sum '[Y8 Ho1 Er6]'
_cell_volume [495.7070]
_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
[
  Y  Y0  6  0.0255  0.6903  0.1043  1
  Y  Y1  2  0.3333  0.6667  0.8207  1
  Ho  Ho2  1  0.0000  0.0000  0.5000  1
  Er  Er3  6  0.0866  0.4085  0.4046  1
]