data_[K4Na4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0940]
_cell_length_b [5.0655]
_cell_length_c [12.8196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KNaAs2]
_chemical_formula_sum '[K4 Na4 As8]'
_cell_volume [460.6675]
_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
[
  K  K0  4  0.1441  0.2500  0.8371  1.0
  Na  Na1  4  0.1485  0.2500  0.5595  1.0
  As  As2  4  0.0331  0.2500  0.3355  1.0
  As  As3  4  0.1804  0.2500  0.1484  1.0
]