data_Na2MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.03
_cell_angle_alpha   94.67
_cell_angle_beta   94.67
_cell_angle_gamma   33.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgIr
_chemical_formula_sum   'Na2 Mg1 Ir1'
_cell_volume   80.86
_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  0.44  0.0  0.02  1.0
  Na  Na3  1  0.06  0.0  0.58  1.0
  Mg  Mg1  1  0.9  0.0  0.19  1.0
  Ir  Ir0  1  0.5  0.0  0.22  1.0

data_Na2MgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.94
_cell_length_c   6.03
_cell_angle_alpha   94.67
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgIr
_chemical_formula_sum   'Na2 Mg1 Ir1'
_cell_volume   80.86
_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  0.56  0.98  1.0
  Na  Na1  1  0.0  0.94  0.42  1.0
  Mg  Mg2  1  0.0  0.1  0.81  1.0
  Ir  Ir3  1  0.0  0.5  0.78  1.0

Na Na Mg Ir