data_[Ce4Pr4Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.3766]
_cell_length_b [7.3766]
_cell_length_c [7.3766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [CePrEr]
_chemical_formula_sum '[Ce4 Pr4 Er4]'
_cell_volume [401.3886]
_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
[
  Ce  Ce0  4  0.2027  0.2973  0.7027  1
  Pr  Pr1  4  0.0632  0.5632  0.9368  1
  Er  Er2  4  0.1068  0.1068  0.1068  1
]