data_[Pr8Y2In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.3913]
_cell_length_b [7.0473]
_cell_length_c [6.0297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Pr4YIn3]
_chemical_formula_sum '[Pr8 Y2 In6]'
_cell_volume [484.0471]
_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  4  0.0000  0.2460  0.5000  1
  Pr  Pr1  4  0.2500  0.2397  0.1308  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.2500  0.0000  0.6413  1
  In  In5  2  0.2500  0.5000  0.6499  1
]