data_[Y36Ho21Er3]
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 [R-3]
_cell_length_a [12.8088]
_cell_length_b [12.8088]
_cell_length_c [13.6417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y12Ho7Er]
_chemical_formula_sum '[Y36 Ho21 Er3]'
_cell_volume [1938.2784]
_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
[
  Y  Y0  18  0.0033  0.5653  0.7477  1
  Y  Y1  18  0.0683  0.2004  0.3502  1
  Ho  Ho2  18  0.0686  0.8698  0.8455  1
  Ho  Ho3  3  0.0000  0.0000  0.5000  1
  Er  Er4  3  0.0000  0.0000  0.0000  1
]