data_[Y3Er5]
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 [Pmm2]
_cell_length_a [3.6239]
_cell_length_b [5.6046]
_cell_length_c [12.5543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y3Er5]
_chemical_formula_sum '[Y3 Er5]'
_cell_volume [254.9821]
_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  1  0.0000  0.5000  0.7937  1.0
  Y  Y1  1  0.5000  0.0000  0.7085  1.0
  Y  Y2  1  0.5000  0.5000  0.5390  1.0
  Er  Er3  1  0.0000  0.0000  0.4557  1.0
  Er  Er4  1  0.0000  0.0000  0.9614  1.0
  Er  Er5  1  0.0000  0.5000  0.2895  1.0
  Er  Er6  1  0.5000  0.0000  0.2089  1.0
  Er  Er7  1  0.5000  0.5000  0.0432  1.0
]