data_[K4Pr2Zn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0072]
_cell_length_b [4.3287]
_cell_length_c [8.0059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pr(ZnSe2)2]
_chemical_formula_sum '[K4 Pr2 Zn4 Se8]'
_cell_volume [519.3868]
_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
[
  K  K0  4  0.1289  0.0000  0.5578  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1774  0.5000  0.9920  1
  Se  Se3  4  0.0253  0.5000  0.7595  1
  Se  Se4  4  0.2045  0.0000  0.1769  1
]