data_[Pr10Ti10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9092]
_cell_length_b [20.4114]
_cell_length_c [5.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrTi]
_chemical_formula_sum '[Pr10 Ti10]'
_cell_volume [522.5400]
_cell_formula_units_Z [10]
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  4  0.0000  0.1172  0.7687  1
  Pr  Pr1  4  0.5000  0.1209  0.2959  1
  Pr  Pr2  2  0.0000  0.0000  0.2761  1
  Ti  Ti3  4  0.0000  0.2231  0.2010  1
  Ti  Ti4  4  0.5000  0.2225  0.8669  1
  Ti  Ti5  2  0.5000  0.0000  0.7907  1
]