data_[Pr12Sb4As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1037]
_cell_length_b [4.3817]
_cell_length_c [8.7445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Sb2AsSe3]
_chemical_formula_sum '[Pr12 Sb4 As2 Se6]'
_cell_volume [713.5676]
_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  0.0024  0.0000  0.7620  1.0
  Pr  Pr1  4  0.1617  0.5000  0.0744  1.0
  Pr  Pr2  4  0.1627  0.5000  0.5894  1.0
  Sb  Sb3  4  0.1668  0.0000  0.3341  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1684  0.0000  0.8350  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]