data_NaMnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   156.46
_cell_angle_beta   156.46
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnIr
_chemical_formula_sum   'Na1 Mn1 Ir1'
_cell_volume   49.6
_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  0.63  1.0
  Mn  Mn1  1  0.0  0.0  0.7  1.0
  Ir  Ir0  1  0.0  0.0  0.62  1.0

data_NaMnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMnIr
_chemical_formula_sum   'Na2 Mn2 Ir2'
_cell_volume   99.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.37  1.0
  Mn  Mn1  2  0.0  0.0  0.3  1.0
  Ir  Ir2  2  0.0  0.0  0.38  1.0

Na Mn Ir
Na Mn Ir 0 2 o o o 0 1 o o o 1 2 o o o 