data_SrBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   7.39
_cell_angle_alpha   34.4
_cell_angle_beta   34.4
_cell_angle_gamma   34.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBi2Ir
_chemical_formula_sum   'Sr1 Bi2 Ir1'
_cell_volume   115.08
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.16  1.0
  Bi  Bi1  1  0.0  0.0  0.69  1.0
  Ir  Ir2  1  0.0  0.0  0.42  1.0

data_SrBi2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.57
_cell_length_b   4.37
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBi2Ir
_chemical_formula_sum   'Sr2 Bi4 Ir2'
_cell_volume   230.17
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  -0.0  0.0  0.31  1.0
  Bi  Bi2  2  0.0  0.0  0.84  1.0
  Ir  Ir3  2  0.0  0.0  0.58  1.0

Sr Bi Bi Ir
Sr Bi Bi Ir 0 1 o o o 0 2 o o - 1 3 o o o 2 3 o o o 