data_[Pr13In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8259]
_cell_length_b [9.1146]
_cell_length_c [9.2877]
_cell_angle_alpha [65.1899]
_cell_angle_beta [81.4379]
_cell_angle_gamma [81.7979]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr13In2]
_chemical_formula_sum '[Pr13 In2]'
_cell_volume [516.5850]
_cell_formula_units_Z [1]
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  0.0985  0.4364  0.7504  1.0
  Pr  Pr1  2  0.1908  0.1911  0.2148  1.0
  Pr  Pr2  2  0.2862  0.9623  0.6354  1.0
  Pr  Pr3  2  0.2976  0.6205  0.9791  1.0
  Pr  Pr4  2  0.3971  0.3940  0.4082  1.0
  Pr  Pr5  2  0.4730  0.8307  0.1759  1.0
  Pr  Pr6  1  0.0000  0.0000  0.0000  1.0
  In  In7  2  0.0907  0.7690  0.4336  1.0
]