data_KMgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   149.95
_cell_angle_beta   124.42
_cell_angle_gamma   64.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPb2
_chemical_formula_sum   'K1 Mg1 Pb2'
_cell_volume   131.28
_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  0.79  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.19  0.25  1.0
  Pb  Pb3  1  0.78  0.0  0.54  1.0

data_KMgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   6.38
_cell_length_c   6.85
_cell_angle_alpha   117.79
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPb2
_chemical_formula_sum   'K1 Mg1 Pb2'
_cell_volume   131.28
_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  0.79  0.79  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.54  0.76  1.0
  Pb  Pb3  1  0.81  0.06  0.06  1.0

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