data_KBeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   147.73
_cell_angle_beta   146.56
_cell_angle_gamma   47.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeBi
_chemical_formula_sum   'K1 Be1 Bi1'
_cell_volume   93.26
_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  0.43  1.0
  Be  Be0  1  0.0  0.0  0.63  1.0
  Bi  Bi1  1  0.0  0.0  0.97  1.0

data_KBeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.93
_cell_length_c   6.83
_cell_angle_alpha   106.72
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeBi
_chemical_formula_sum   'K1 Be1 Bi1'
_cell_volume   93.26
_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  0.0  0.43  0.43  1.0
  Be  Be1  1  0.0  0.63  0.63  1.0
  Bi  Bi2  1  0.0  0.97  0.97  1.0

K Be Bi