data_[Pr2Sn4Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3849]
_cell_length_b [11.4673]
_cell_length_c [7.2774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrSn2Sb3]
_chemical_formula_sum '[Pr2 Sn4 Sb6]'
_cell_volume [365.9247]
_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  0.0000  0.1229  0.5261  1.0
  Sn  Sn1  2  0.0000  0.1785  0.9772  1.0
  Sn  Sn2  2  0.5000  0.4547  0.0380  1.0
  Sb  Sb3  2  0.0000  0.3608  0.2564  1.0
  Sb  Sb4  2  0.5000  0.0510  0.2079  1.0
  Sb  Sb5  2  0.5000  0.3049  0.6958  1.0
]