data_[Pr4Ag6Sn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9931]
_cell_length_b [4.2456]
_cell_length_c [8.0514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ag3SnSe6]
_chemical_formula_sum '[Pr4 Ag6 Sn2 Se12]'
_cell_volume [608.7523]
_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  0.1675  0.0000  0.3201  1.0
  Ag  Ag1  4  0.1796  0.0000  0.8145  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0028  0.0000  0.7470  1.0
  Se  Se5  4  0.1639  0.5000  0.0601  1.0
  Se  Se6  4  0.1645  0.5000  0.5808  1.0
]