data_[La2Pr3Er4]
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 [P3m1]
_cell_length_a [3.6265]
_cell_length_b [3.6265]
_cell_length_c [27.1129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La2Pr3Er4]
_chemical_formula_sum '[La2 Pr3 Er4]'
_cell_volume [308.8115]
_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  1  0.0000  0.0000  0.1358  1.0
  La  La1  1  0.0000  0.0000  0.9042  1.0
  Pr  Pr2  1  0.0000  0.0000  0.3519  1.0
  Pr  Pr3  1  0.3333  0.6667  0.0162  1.0
  Pr  Pr4  1  0.3333  0.6667  0.6720  1.0
  Er  Er5  1  0.0000  0.0000  0.5614  1.0
  Er  Er6  1  0.0000  0.0000  0.7779  1.0
  Er  Er7  1  0.3333  0.6667  0.2432  1.0
  Er  Er8  1  0.3333  0.6667  0.4603  1.0
]