data_SrZr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   3.15
_cell_angle_alpha   102.05
_cell_angle_beta   102.05
_cell_angle_gamma   119.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Ir
_chemical_formula_sum   'Sr1 Zr2 Ir1'
_cell_volume   88.81
_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  Sr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.86  0.57  0.43  1.0
  Zr  Zr3  1  0.86  0.43  0.43  1.0
  Ir  Ir0  1  0.01  0.0  0.0  1.0

data_SrZr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.52
_cell_length_c   5.96
_cell_angle_alpha   115.58
_cell_angle_beta   102.05
_cell_angle_gamma   96.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Ir
_chemical_formula_sum   'Sr1 Zr2 Ir1'
_cell_volume   88.81
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.01  0.57  0.43  1.0
  Zr  Zr2  1  0.86  0.43  0.28  1.0
  Ir  Ir3  1  0.0  0.0  0.01  1.0

Sr Zr Zr Ir
Sr Zr Zr Ir 0 3 o o o 1 2 o o o 