data_[Pr6Ni45Sn6]
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 [R-3m]
_cell_length_a [8.5442]
_cell_length_b [8.5442]
_cell_length_c [12.5366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Ni15Sn2]
_chemical_formula_sum '[Pr6 Ni45 Sn6]'
_cell_volume [792.6041]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3564  1.0
  Ni  Ni1  18  0.0000  0.3003  0.0000  1.0
  Ni  Ni2  18  0.0019  0.5010  0.1553  1.0
  Ni  Ni3  9  0.0000  0.5000  0.5000  1.0
  Sn  Sn4  6  0.0000  0.0000  0.1102  1.0
]