data_[K1Be1Bi1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.2346]
_cell_length_b [5.2346]
_cell_length_c [5.4146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [KBeBiH6]
_chemical_formula_sum '[K1 Be1 Bi1 H6]'
_cell_volume [128.4906]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.0000  1
  Be  Be1  1  0.3333  0.6667  0.5000  1
  Bi  Bi2  1  0.0000  0.0000  0.5000  1
  H  H3  6  0.0852  0.4068  0.6769  1
]