data_K2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.19
_cell_length_b   12.19
_cell_length_c   12.19
_cell_angle_alpha   15.12
_cell_angle_beta   15.12
_cell_angle_gamma   15.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2OsPb
_chemical_formula_sum   'K2 Os1 Pb1'
_cell_volume   107.31
_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  0.0  0.34  1.0
  K  K1  1  0.0  0.0  0.8  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.07  1.0

data_K2OsPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.21
_cell_length_c   12.19
_cell_angle_alpha   90.0
_cell_angle_beta   98.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2OsPb
_chemical_formula_sum   'K4 Os2 Pb2'
_cell_volume   214.62
_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  0.66  1.0
  K  K1  2  0.0  0.0  0.2  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.93  1.0

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