data_SrZrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.14
_cell_angle_alpha   103.35
_cell_angle_beta   103.35
_cell_angle_gamma   29.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrIr2
_chemical_formula_sum   'Sr1 Zr1 Ir2'
_cell_volume   81.49
_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  Sr2  1  0.11  0.0  0.75  1.0
  Zr  Zr3  1  0.75  0.0  0.88  1.0
  Ir  Ir0  1  0.77  0.0  0.14  1.0
  Ir  Ir1  1  0.27  0.0  0.72  1.0

data_SrZrIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.14
_cell_length_c   5.74
_cell_angle_alpha   103.35
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrIr2
_chemical_formula_sum   'Sr1 Zr1 Ir2'
_cell_volume   81.49
_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  0.75  0.11  1.0
  Zr  Zr1  1  0.0  0.88  0.75  1.0
  Ir  Ir2  1  0.0  0.14  0.77  1.0
  Ir  Ir3  1  0.0  0.72  0.27  1.0

Sr Zr Ir Ir