data_[Pr12Si4Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8056]
_cell_length_b [4.2905]
_cell_length_c [8.6858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Si2GeSe3]
_chemical_formula_sum '[Pr12 Si4 Ge2 Se6]'
_cell_volume [679.0642]
_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  0.0022  0.0000  0.2464  1.0
  Pr  Pr1  4  0.1655  0.5000  0.0901  1.0
  Pr  Pr2  4  0.1689  0.5000  0.5771  1.0
  Si  Si3  4  0.1666  0.0000  0.3332  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1665  0.0000  0.8331  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]