data_[Pr12Ni8Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5640]
_cell_length_b [11.2266]
_cell_length_c [15.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Ni2Sn3]
_chemical_formula_sum '[Pr12 Ni8 Sn12]'
_cell_volume [791.2674]
_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  8  0.0000  0.0803  0.6097  1.0
  Pr  Pr1  4  0.0000  0.3644  0.7500  1.0
  Ni  Ni2  8  0.0000  0.2055  0.1034  1.0
  Sn  Sn3  8  0.0000  0.3651  0.5369  1.0
  Sn  Sn4  4  0.0000  0.3365  0.2500  1.0
]