data_AgBiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   141.99
_cell_angle_beta   141.99
_cell_angle_gamma   54.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBiIr
_chemical_formula_sum   'Ag1 Bi1 Ir1'
_cell_volume   60.12
_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  0.09  1.0
  Bi  Bi1  1  0.0  0.0  0.03  1.0
  Ir  Ir2  1  0.0  0.0  0.51  1.0

data_AgBiIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   117.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBiIr
_chemical_formula_sum   'Ag2 Bi2 Ir2'
_cell_volume   120.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.09  0.0  0.09  1.0
  Bi  Bi1  2  0.03  0.0  0.03  1.0
  Ir  Ir2  2  0.01  0.5  0.51  1.0

Ag Bi Ir
Ag Bi Ir 0 1 o o o 0 2 o o o 1 2 o o o 