data_K2BeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   122.61
_cell_angle_beta   122.61
_cell_angle_gamma   85.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeBi
_chemical_formula_sum   'K2 Be1 Bi1'
_cell_volume   126.44
_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  K2  1  0.0  0.0  0.2  1.0
  K  K3  1  0.0  0.74  0.1  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.74  0.0  0.1  1.0

data_K2BeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.72
_cell_angle_alpha   118.69
_cell_angle_beta   118.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeBi
_chemical_formula_sum   'K2 Be1 Bi1'
_cell_volume   126.44
_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  0.2  0.2  0.2  1.0
  K  K1  1  0.35  0.1  0.35  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.1  0.35  0.35  1.0

K K Be Bi
K K Be Bi 0 3 - o o 0 1 o - o 0 2 o o o 