data_[K16As4H2]
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/m]
_cell_length_a [21.4226]
_cell_length_b [5.6046]
_cell_length_c [7.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8As2H]
_chemical_formula_sum '[K16 As4 H2]'
_cell_volume [886.8985]
_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  0.0383  0.0000  0.2833  1.0
  K  K1  4  0.0917  0.5000  0.7957  1.0
  K  K2  4  0.1809  0.5000  0.4220  1.0
  K  K3  4  0.2245  0.0000  0.1206  1.0
  As  As4  4  0.1649  0.0000  0.6684  1.0
  H  H5  2  0.0000  0.5000  0.0000  1.0
]