data_[Pr4In4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.3671]
_cell_length_b [6.4124]
_cell_length_c [6.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [PrInSn3]
_chemical_formula_sum '[Pr4 In4 Sn12]'
_cell_volume [559.3700]
_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  0.3090  0.0080  0.7500  1
  In  In1  4  0.1152  0.2500  0.0000  1
  Sn  Sn2  4  0.0820  0.7102  0.2500  1
  Sn  Sn3  4  0.2836  0.5113  0.7500  1
  Sn  Sn4  4  0.4994  0.2500  0.0000  1
]