data_AgIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   129.78
_cell_angle_beta   129.78
_cell_angle_gamma   73.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr2Pb
_chemical_formula_sum   'Ag1 Ir2 Pb1'
_cell_volume   70.25
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.1  0.0  0.98  1.0
  Ir  Ir2  1  0.0  0.0  0.97  1.0
  Pb  Pb3  1  0.0  0.1  0.98  1.0

data_AgIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.96
_cell_angle_alpha   115.11
_cell_angle_beta   115.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr2Pb
_chemical_formula_sum   'Ag1 Ir2 Pb1'
_cell_volume   70.25
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.02  0.0  0.12  1.0
  Ir  Ir2  1  0.03  0.0  0.03  1.0
  Pb  Pb3  1  0.12  0.1  0.12  1.0

Ag Ir Ir Pb
Ag Ir Ir Pb 0 2 o o - 1 2 o o o 2 3 o o o 