data_KBe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   30.86
_cell_angle_beta   30.86
_cell_angle_gamma   30.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Bi
_chemical_formula_sum   'K1 Be2 Bi1'
_cell_volume   95.91
_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  K3  1  0.0  0.0  0.67  1.0
  Be  Be0  1  0.0  0.0  0.17  1.0
  Be  Be1  1  0.0  0.0  0.32  1.0
  Bi  Bi2  1  0.0  0.0  0.68  1.0

data_KBe2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   3.96
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBe2Bi
_chemical_formula_sum   'K2 Be4 Bi2'
_cell_volume   191.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.33  1.0
  Be  Be1  2  -0.0  0.0  0.83  1.0
  Be  Be2  2  -0.0  0.0  0.68  1.0
  Bi  Bi3  2  -0.0  0.0  0.32  1.0

K Be Be Bi