data_NiAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   148.65
_cell_angle_beta   128.24
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgIr2
_chemical_formula_sum   'Ni1 Ag1 Ir2'
_cell_volume   58.35
_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
  Ni  Ni3  1  0.0  0.0  0.41  1.0
  Ag  Ag0  1  0.0  0.29  0.11  1.0
  Ir  Ir1  1  0.0  0.0  0.12  1.0
  Ir  Ir2  1  0.42  0.0  0.36  1.0

data_NiAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.58
_cell_length_c   5.24
_cell_angle_alpha   115.88
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgIr2
_chemical_formula_sum   'Ni1 Ag1 Ir2'
_cell_volume   58.35
_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
  Ni  Ni0  1  0.59  0.59  0.59  1.0
  Ag  Ag1  1  0.89  0.18  0.18  1.0
  Ir  Ir2  1  0.06  0.64  0.06  1.0
  Ir  Ir3  1  0.88  0.88  0.88  1.0

Ni Ag Ir Ir