data_[La6Y8Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.2924]
_cell_length_b [10.3005]
_cell_length_c [7.2407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La3Y4Er]
_chemical_formula_sum '[La6 Y8 Er2]'
_cell_volume [543.8841]
_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
[
  La  La0  4  0.2500  0.2500  0.0000  1.0
  La  La1  2  0.0000  0.0000  0.2576  1.0
  Y  Y2  4  0.2500  0.2500  0.5000  1.0
  Y  Y3  2  0.0000  0.5000  0.2572  1.0
  Y  Y4  2  0.0000  0.5000  0.7420  1.0
  Er  Er5  2  0.0000  0.0000  0.7470  1.0
]