data_[Pr12Sb2P6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7689]
_cell_length_b [4.2672]
_cell_length_c [8.6249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SbP3Se2]
_chemical_formula_sum '[Pr12 Sb2 P6 Se4]'
_cell_volume [669.6792]
_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  0.0028  0.0000  0.7354  1
  Pr  Pr1  4  0.1625  0.5000  0.5939  1
  Pr  Pr2  4  0.1725  0.5000  0.0750  1
  Sb  Sb3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.1665  0.0000  0.8318  1
  P  P5  2  0.0000  0.5000  0.5000  1
  Se  Se6  4  0.1685  0.0000  0.3366  1
]