data_Na2TaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.14
_cell_angle_alpha   94.29
_cell_angle_beta   94.29
_cell_angle_gamma   38.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaIr
_chemical_formula_sum   'Na2 Ta1 Ir1'
_cell_volume   88.89
_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  Na1  1  0.09  0.0  0.2  1.0
  Na  Na2  1  0.66  0.0  0.22  1.0
  Ta  Ta3  1  0.85  0.0  0.1  1.0
  Ir  Ir0  1  0.17  0.0  0.16  1.0

data_Na2TaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.46
_cell_length_c   7.14
_cell_angle_alpha   94.29
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaIr
_chemical_formula_sum   'Na2 Ta1 Ir1'
_cell_volume   88.89
_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  0.34  0.78  1.0
  Na  Na1  1  0.0  0.91  0.8  1.0
  Ta  Ta2  1  0.0  0.15  0.9  1.0
  Ir  Ir3  1  0.0  0.83  0.84  1.0

Na Na Ta Ir