data_Na4IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   129.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4IrO4
_chemical_formula_sum   'Na4 Ir1 O4'
_cell_volume   124.03
_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  0.94  0.42  0.0  1.0
  Na  Na1  1  0.18  0.33  0.38  1.0
  Na  Na2  1  0.67  0.18  0.38  1.0
  Na  Na3  1  0.42  0.27  0.0  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.0  0.76  0.38  1.0
  O  O6  1  0.6  0.85  0.0  1.0
  O  O7  1  0.37  0.6  0.0  1.0
  O  O8  1  0.24  0.0  0.38  1.0

data_Na4IrO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   79.68
_cell_angle_beta   64.96
_cell_angle_gamma   64.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4IrO4
_chemical_formula_sum   'Na4 Ir1 O4'
_cell_volume   124.03
_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  0.27  -0.0  0.15  1.0
  Na  Na1  1  0.42  -0.0  0.52  1.0
  Na  Na2  1  0.8  0.38  0.48  1.0
  Na  Na3  1  0.95  0.38  0.85  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.38  0.38  0.24  1.0
  O  O6  1  0.6  0.0  0.77  1.0
  O  O7  1  0.62  0.38  0.23  1.0
  O  O8  1  0.85  -0.0  0.76  1.0

Na Na Na Na Ir O O O O