data_[La4Ho1Er1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5496]
_cell_length_b [5.8556]
_cell_length_c [9.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [La4HoEr]
_chemical_formula_sum '[La4 Ho1 Er1]'
_cell_volume [207.6022]
_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
[
  La  La0  2  0.0000  0.0000  0.3272  1
  La  La1  2  0.0000  0.5000  0.1723  1
  Ho  Ho2  1  0.5000  0.5000  0.5000  1
  Er  Er3  1  0.5000  0.0000  0.0000  1
]