data_SrBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   5.39
_cell_angle_alpha   113.58
_cell_angle_beta   113.58
_cell_angle_gamma   30.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBiIr2
_chemical_formula_sum   'Sr1 Bi1 Ir2'
_cell_volume   90.43
_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  0.84  0.0  0.43  1.0
  Bi  Bi0  1  0.89  0.0  0.94  1.0
  Ir  Ir1  1  0.36  0.0  0.74  1.0
  Ir  Ir2  1  0.5  0.0  0.16  1.0

data_SrBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.39
_cell_length_c   6.04
_cell_angle_alpha   113.58
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBiIr2
_chemical_formula_sum   'Sr1 Bi1 Ir2'
_cell_volume   90.43
_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  Sr0  1  0.0  0.43  0.84  1.0
  Bi  Bi1  1  0.0  0.94  0.89  1.0
  Ir  Ir2  1  0.0  0.16  0.5  1.0
  Ir  Ir3  1  0.0  0.74  0.36  1.0

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