data_[Pr16Y4In2]
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 [C2/m]
_cell_length_a [18.5797]
_cell_length_b [5.0884]
_cell_length_c [8.2251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Y2In]
_chemical_formula_sum '[Pr16 Y4 In2]'
_cell_volume [749.2371]
_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  0.0443  0.0000  0.7278  1.0
  Pr  Pr1  4  0.0904  0.5000  0.4411  1.0
  Pr  Pr2  4  0.1360  0.0000  0.1783  1.0
  Pr  Pr3  4  0.1781  0.5000  0.9080  1.0
  Y  Y4  4  0.2250  0.0000  0.6337  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]