data_[K16As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9978]
_cell_length_b [16.0998]
_cell_length_c [7.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K4AsH]
_chemical_formula_sum '[K16 As4 H4]'
_cell_volume [912.7007]
_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  8  0.1413  0.7956  0.1217  1.0
  K  K1  8  0.2298  0.4682  0.7741  1.0
  As  As2  4  0.0000  0.3686  0.2500  1.0
  H  H3  4  0.0000  0.0820  0.7500  1.0
]