data_K2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.73
_cell_length_b   11.73
_cell_length_c   11.73
_cell_angle_alpha   18.51
_cell_angle_beta   18.51
_cell_angle_gamma   18.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BePb
_chemical_formula_sum   'K2 Be1 Pb1'
_cell_volume   142.26
_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  K1  1  0.0  0.0  0.74  1.0
  K  K2  1  0.0  0.0  0.85  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.29  1.0

data_K2BePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   3.77
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BePb
_chemical_formula_sum   'K4 Be2 Pb2'
_cell_volume   284.51
_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  0.26  1.0
  K  K1  2  -0.0  0.0  0.15  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  -0.0  0.0  0.71  1.0

K K Be Pb
K K Be Pb 0 1 o o o 1 2 o o + 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 