data_[Pr2Zn2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2089]
_cell_length_b [4.2544]
_cell_length_c [4.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PrZnSn3]
_chemical_formula_sum '[Pr2 Zn2 Sn6]'
_cell_volume [272.2556]
_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  2  0.4903  0.5000  0.9680  1
  Zn  Zn1  2  0.2671  0.5000  0.2162  1
  Sn  Sn2  2  0.1063  0.5000  0.5375  1
  Sn  Sn3  2  0.2463  0.0000  0.8578  1
  Sn  Sn4  2  0.3921  0.0000  0.4204  1
]