data_[Pr8Y4In4]
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 [Amm2]
_cell_length_a [5.5857]
_cell_length_b [7.1492]
_cell_length_c [12.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr2YIn]
_chemical_formula_sum '[Pr8 Y4 In4]'
_cell_volume [494.6292]
_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  0.0000  0.2394  0.4111  1
  Pr  Pr1  2  0.0000  0.0000  0.1772  1
  Pr  Pr2  2  0.5000  0.0000  0.8261  1
  Y  Y3  4  0.5000  0.2392  0.5882  1
  In  In4  2  0.0000  0.0000  0.6625  1
  In  In5  2  0.5000  0.0000  0.3354  1
]