data_[Pr10Y2In4]
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 [Pbam]
_cell_length_a [7.0988]
_cell_length_b [14.0482]
_cell_length_c [5.0173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Pr5YIn2]
_chemical_formula_sum '[Pr10 Y2 In4]'
_cell_volume [500.3563]
_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  0.0092  0.2525  0.0000  1.0
  Pr  Pr1  4  0.2437  0.8760  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Y  Y3  2  0.0000  0.5000  0.0000  1.0
  In  In4  4  0.2414  0.6222  0.5000  1.0
]