data_AgBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi2Ir
_chemical_formula_sum   'Ag1 Bi2 Ir1'
_cell_volume   94.07
_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
  Bi  Bi1  1  0.24  0.0  0.46  1.0
  Bi  Bi2  1  0.24  0.0  0.02  1.0
  Ir  Ir3  1  0.0  0.0  0.24  1.0

data_AgBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi2Ir
_chemical_formula_sum   'Ag1 Bi2 Ir1'
_cell_volume   94.07
_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
  Bi  Bi1  1  0.24  0.0  0.02  1.0
  Bi  Bi2  1  0.24  0.0  0.46  1.0
  Ir  Ir3  1  0.0  0.0  0.24  1.0

Ag Bi Bi Ir
Ag Bi Bi Ir 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 