data_[La12Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2921]
_cell_length_b [6.4228]
_cell_length_c [9.4985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Er2]
_chemical_formula_sum '[La12 Er8]'
_cell_volume [702.8922]
_cell_formula_units_Z [4]
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  8  0.1953  0.1677  0.6504  1.0
  La  La1  4  0.0000  0.1741  0.2500  1.0
  Er  Er2  8  0.1011  0.3365  0.9490  1.0
]