data_[La12Pr4Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.6175]
_cell_length_b [18.1819]
_cell_length_c [3.7063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La6Pr2Er]
_chemical_formula_sum '[La12 Pr4 Er2]'
_cell_volume [648.1037]
_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  8  0.1714  0.3361  0.0000  1
  La  La1  4  0.1811  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.1718  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
]