data_[Pr2Er2Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5656]
_cell_length_b [3.5656]
_cell_length_c [13.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PrErTi]
_chemical_formula_sum '[Pr2 Er2 Ti2]'
_cell_volume [167.8687]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.6004  1.0
  Er  Er1  2  0.0000  0.5000  0.1907  1.0
  Ti  Ti2  2  0.0000  0.5000  0.9570  1.0
]