data_[Pr4Ti4Bi12]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.6898]
_cell_length_b [6.6680]
_cell_length_c [6.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [PrTiBi3]
_chemical_formula_sum '[Pr4 Ti4 Bi12]'
_cell_volume [578.5963]
_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
[
  Pr  Pr0  4  0.3110  0.5087  0.2500  1.0
  Ti  Ti1  4  0.0924  0.2500  0.0000  1.0
  Bi  Bi2  4  0.0692  0.6047  0.2500  1.0
  Bi  Bi3  4  0.2302  0.0099  0.2500  1.0
  Bi  Bi4  4  0.4969  0.2500  0.0000  1.0
]