data_Sr2NiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   134.52
_cell_angle_beta   134.52
_cell_angle_gamma   66.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiIr
_chemical_formula_sum   'Sr2 Ni1 Ir1'
_cell_volume   92.74
_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  0.2  0.0  0.39  1.0
  Sr  Sr3  1  0.0  0.0  0.77  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.2  0.39  1.0

data_Sr2NiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.7
_cell_angle_alpha   112.74
_cell_angle_beta   112.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiIr
_chemical_formula_sum   'Sr2 Ni1 Ir1'
_cell_volume   92.74
_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  0.39  0.18  0.18  1.0
  Sr  Sr1  1  0.77  0.77  0.77  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.18  0.39  0.18  1.0

Sr Sr Ni Ir