data_[Pr12Y4In8]
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 [16.4947]
_cell_length_b [5.0486]
_cell_length_c [10.4130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3YIn2]
_chemical_formula_sum '[Pr12 Y4 In8]'
_cell_volume [762.0203]
_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  0.0412  0.0000  0.3596  1.0
  Pr  Pr1  4  0.1343  0.5000  0.6801  1.0
  Pr  Pr2  4  0.2105  0.5000  0.3746  1.0
  Y  Y3  4  0.1180  0.0000  0.0701  1.0
  In  In4  4  0.0127  0.5000  0.8683  1.0
  In  In5  4  0.2495  0.0000  0.9133  1.0
]