data_CoIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   139.71
_cell_angle_beta   139.71
_cell_angle_gamma   58.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIrPb2
_chemical_formula_sum   'Co1 Ir1 Pb2'
_cell_volume   76.88
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.96  0.0  0.49  1.0
  Pb  Pb2  1  0.0  0.0  0.98  1.0
  Pb  Pb3  1  0.0  0.96  0.49  1.0

data_CoIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.7
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIrPb2
_chemical_formula_sum   'Co1 Ir1 Pb2'
_cell_volume   76.88
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.51  0.0  0.47  1.0
  Pb  Pb2  1  0.02  0.0  0.02  1.0
  Pb  Pb3  1  0.47  0.96  0.47  1.0

Co Ir Pb Pb
Co Ir Pb Pb 0 2 o o - 1 3 + - o 