data_[Pr16In4Sn2]
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 [C2/m]
_cell_length_a [17.7825]
_cell_length_b [5.0751]
_cell_length_c [8.3514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8In2Sn]
_chemical_formula_sum '[Pr16 In4 Sn2]'
_cell_volume [703.7562]
_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  0.0530  0.0000  0.7355  1.0
  Pr  Pr1  4  0.0973  0.5000  0.4493  1.0
  Pr  Pr2  4  0.1429  0.0000  0.2056  1.0
  Pr  Pr3  4  0.1789  0.5000  0.9366  1.0
  In  In4  4  0.2231  0.0000  0.6491  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]