data_KMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   137.78
_cell_angle_beta   137.78
_cell_angle_gamma   61.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Pb
_chemical_formula_sum   'K1 Mo2 Pb1'
_cell_volume   86.33
_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  0.0  1.0
  Mo  Mo1  1  0.08  0.0  0.49  1.0
  Mo  Mo2  1  0.0  0.08  0.49  1.0
  Pb  Pb3  1  0.0  0.0  0.98  1.0

data_KMo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   120.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMo2Pb
_chemical_formula_sum   'K2 Mo4 Pb2'
_cell_volume   172.66
_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  0.0  1.0
  Mo  Mo1  4  0.46  0.46  0.41  1.0
  Pb  Pb2  2  0.0  0.0  0.98  1.0

K Mo Mo Pb
K Mo Mo Pb 0 3 o o - 1 2 o o o 