data_[Pr2Mg2Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.2989]
_cell_length_b [3.2989]
_cell_length_c [13.6629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PrMgTi]
_chemical_formula_sum '[Pr2 Mg2 Ti2]'
_cell_volume [148.6926]
_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  0.8817  1
  Mg  Mg1  2  0.0000  0.5000  0.5751  1
  Ti  Ti2  2  0.0000  0.5000  0.2819  1
]