data_[Y13Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6140]
_cell_length_b [9.0286]
_cell_length_c [9.0324]
_cell_angle_alpha [65.1821]
_cell_angle_beta [81.2664]
_cell_angle_gamma [81.1815]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y13Er2]
_chemical_formula_sum '[Y13 Er2]'
_cell_volume [481.4680]
_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  2  0.1037  0.4503  0.7463  1.0
  Y  Y1  2  0.1972  0.1996  0.2020  1.0
  Y  Y2  2  0.2883  0.6248  0.9793  1.0
  Y  Y3  2  0.3077  0.9545  0.6398  1.0
  Y  Y4  2  0.3986  0.3978  0.4029  1.0
  Y  Y5  2  0.4867  0.1700  0.8374  1.0
  Y  Y6  1  0.0000  0.0000  0.0000  1.0
  Er  Er7  2  0.0986  0.7837  0.4155  1.0
]