data_NaSrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   153.12
_cell_angle_beta   131.07
_cell_angle_gamma   56.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrIr2
_chemical_formula_sum   'Na1 Sr1 Ir2'
_cell_volume   86.63
_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
  Na  Na2  1  0.0  0.0  0.28  1.0
  Sr  Sr3  1  0.0  0.63  0.03  1.0
  Ir  Ir0  1  0.0  0.0  0.4  1.0
  Ir  Ir1  1  0.48  0.0  0.47  1.0

data_NaSrIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.26
_cell_length_c   6.35
_cell_angle_alpha   114.47
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrIr2
_chemical_formula_sum   'Na1 Sr1 Ir2'
_cell_volume   86.63
_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
  Na  Na0  1  0.0  0.28  0.28  1.0
  Sr  Sr1  1  0.37  0.4  0.4  1.0
  Ir  Ir2  1  0.0  0.4  0.4  1.0
  Ir  Ir3  1  0.0  0.47  0.99  1.0

Na Sr Ir Ir