data_[Pr12Si2Sb4Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0713]
_cell_length_b [4.3947]
_cell_length_c [8.7755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SiSb2Se3]
_chemical_formula_sum '[Pr12 Si2 Sb4 Se6]'
_cell_volume [717.2539]
_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  0.0021  0.0000  0.7645  1.0
  Pr  Pr1  4  0.1606  0.5000  0.0739  1.0
  Pr  Pr2  4  0.1633  0.5000  0.5884  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1670  0.0000  0.3342  1.0
  Se  Se5  4  0.1682  0.0000  0.8340  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]