data_Ag2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   30.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2AsIr
_chemical_formula_sum   'Ag2 As1 Ir1'
_cell_volume   69.08
_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  0.13  1.0
  Ag  Ag1  1  0.12  0.0  0.11  1.0
  As  As2  1  0.0  0.0  0.15  1.0
  Ir  Ir3  1  0.12  0.0  0.28  1.0

data_Ag2AsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.25
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2AsIr
_chemical_formula_sum   'Ag2 As1 Ir1'
_cell_volume   69.08
_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  0.87  0.0  0.87  1.0
  Ag  Ag1  1  0.89  0.12  0.89  1.0
  As  As2  1  0.85  0.0  0.85  1.0
  Ir  Ir3  1  0.72  0.12  0.72  1.0

Ag Ag As Ir
Ag Ag As Ir 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 