data_[Pr4Hf4In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9372]
_cell_length_b [27.7722]
_cell_length_c [4.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PrHfIn3]
_chemical_formula_sum '[Pr4 Hf4 In12]'
_cell_volume [553.9256]
_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  0.1490  0.5000  1
  Hf  Hf1  4  0.0000  0.3690  0.0000  1
  In  In2  4  0.0000  0.0525  0.0000  1
  In  In3  4  0.0000  0.2771  0.5000  1
  In  In4  4  0.0000  0.4487  0.5000  1
]