data_[Cs8Pr4P8Se28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.3878]
_cell_length_b [7.3927]
_cell_length_c [22.0973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2PrP2Se7]
_chemical_formula_sum '[Cs8 Pr4 P8 Se28]'
_cell_volume [1590.9122]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.2639  0.5008  0.0210  1
  Cs  Cs1  4  0.3364  0.0058  0.1968  1
  Pr  Pr2  4  0.1576  0.0225  0.8495  1
  P  P3  4  0.0525  0.5200  0.1658  1
  P  P4  4  0.4781  0.0007  0.0467  1
  Se  Se5  4  0.0019  0.2304  0.6062  1
  Se  Se6  4  0.0313  0.7486  0.5988  1
  Se  Se7  4  0.0825  0.0906  0.2775  1
  Se  Se8  4  0.2535  0.0084  0.0152  1
  Se  Se9  4  0.2649  0.5021  0.2377  1
  Se  Se10  4  0.4110  0.7376  0.3986  1
  Se  Se11  4  0.4217  0.2460  0.9002  1
]