data_Na2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   152.27
_cell_angle_beta   133.39
_cell_angle_gamma   55.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoIr
_chemical_formula_sum   'Na2 Co1 Ir1'
_cell_volume   61.05
_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  0.36  0.0  0.38  1.0
  Na  Na3  1  0.0  0.24  0.65  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.02  1.0

data_Na2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.48
_cell_length_c   5.66
_cell_angle_alpha   113.3
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoIr
_chemical_formula_sum   'Na2 Co1 Ir1'
_cell_volume   61.05
_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  0.35  0.59  0.59  1.0
  Na  Na1  1  0.98  0.62  0.98  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.98  0.98  0.98  1.0

Na Na Co Ir