data_AgIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   99.55
_cell_angle_beta   99.55
_cell_angle_gamma   131.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr4
_chemical_formula_sum   'Ag1 Ir4'
_cell_volume   75.12
_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  0.91  0.62  0.95  1.0
  Ir  Ir2  1  0.19  0.48  0.0  1.0
  Ir  Ir3  1  0.72  0.19  0.0  1.0
  Ir  Ir4  1  0.38  0.91  0.95  1.0

data_AgIr4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   80.45
_cell_angle_beta   65.97
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr4
_chemical_formula_sum   'Ag1 Ir4'
_cell_volume   75.12
_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  0.19  0.53  0.0  1.0
  Ir  Ir2  1  0.48  0.71  0.0  1.0
  Ir  Ir3  1  0.62  0.29  0.05  1.0
  Ir  Ir4  1  0.91  0.47  0.05  1.0

Ag Ir Ir Ir Ir
Ag Ir Ir Ir Ir 0 2 o o o 0 1 - - - 1 2 + o + 1 3 o o + 1 4 + o o 2 3 - o o 2 4 o o - 3 4 o - - 