data_CaAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgIr2
_chemical_formula_sum   'Ca1 Ag1 Ir2'
_cell_volume   69.03
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.76  1.0
  Ir  Ir2  1  0.52  0.0  0.37  1.0
  Ir  Ir3  1  0.52  0.0  0.15  1.0

data_CaAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgIr2
_chemical_formula_sum   'Ca1 Ag1 Ir2'
_cell_volume   69.03
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.76  1.0
  Ir  Ir2  1  0.52  0.0  0.15  1.0
  Ir  Ir3  1  0.52  0.0  0.37  1.0

Ca Ag Ir Ir
Ca Ag Ir Ir 0 3 - o o 0 3 o o o 0 1 o o - 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 