data_[K16Bi4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.1405]
_cell_length_b [6.1577]
_cell_length_c [7.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8Bi2H]
_chemical_formula_sum '[K16 Bi4 H2]'
_cell_volume [999.4910]
_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  0.0235  0.0000  0.2707  1.0
  K  K1  4  0.0893  0.5000  0.8172  1.0
  K  K2  4  0.1724  0.5000  0.4089  1.0
  K  K3  4  0.2221  0.0000  0.1335  1.0
  Bi  Bi4  4  0.1567  0.0000  0.6640  1.0
  H  H5  2  0.0000  0.5000  0.0000  1.0
]