data_[La2Pr2Er28]
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 [Amm2]
_cell_length_a [11.4414]
_cell_length_b [7.1215]
_cell_length_c [12.2819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaPrEr14]
_chemical_formula_sum '[La2 Pr2 Er28]'
_cell_volume [1000.7269]
_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  0.5000  0.0000  0.7076  1
  Pr  Pr1  2  0.5000  0.0000  0.2080  1
  Er  Er2  8  0.2442  0.2498  0.1245  1
  Er  Er3  4  0.0000  0.2497  0.2924  1
  Er  Er4  4  0.2465  0.0000  0.8757  1
  Er  Er5  4  0.2477  0.0000  0.3754  1
  Er  Er6  4  0.5000  0.2496  0.9580  1
  Er  Er7  2  0.0000  0.0000  0.0418  1
  Er  Er8  2  0.0000  0.0000  0.5414  1
]