data_[La2Pr12Er10]
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 [5.1892]
_cell_length_b [15.3710]
_cell_length_c [10.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LaPr6Er5]
_chemical_formula_sum '[La2 Pr12 Er10]'
_cell_volume [816.4849]
_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  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  8  0.0000  0.1669  0.2531  1.0
  Pr  Pr2  4  0.0000  0.5000  0.2532  1.0
  Er  Er3  4  0.0000  0.3309  0.0000  1.0
  Er  Er4  4  0.0000  0.3332  0.5000  1.0
  Er  Er5  2  0.0000  0.0000  0.5000  1.0
]