data_[Y10Er12]
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 [C2/m]
_cell_length_a [8.9657]
_cell_length_b [13.0561]
_cell_length_c [6.3089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5Er6]
_chemical_formula_sum '[Y10 Er12]'
_cell_volume [704.9903]
_cell_formula_units_Z [2]
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  4  0.0000  0.2399  0.5000  1
  Y  Y1  4  0.0000  0.3699  0.0000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Er  Er3  8  0.1778  0.1299  0.1721  1
  Er  Er4  4  0.1622  0.0000  0.6893  1
]