data_[La4Pr4Er4]
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 [C2/m]
_cell_length_a [15.7851]
_cell_length_b [3.6806]
_cell_length_c [7.3467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPrEr]
_chemical_formula_sum '[La4 Pr4 Er4]'
_cell_volume [414.8252]
_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  4  0.1644  0.0000  0.5806  1.0
  Pr  Pr1  4  0.1635  0.0000  0.0829  1.0
  Er  Er2  4  0.0007  0.5000  0.7523  1.0
]