data_SrMnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   127.62
_cell_angle_beta   127.62
_cell_angle_gamma   77.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnIr2
_chemical_formula_sum   'Sr1 Mn1 Ir2'
_cell_volume   73.26
_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
  Sr  Sr3  1  0.0  0.0  0.86  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.18  0.93  1.0
  Ir  Ir1  1  0.18  0.0  0.93  1.0

data_SrMnIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   128.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMnIr2
_chemical_formula_sum   'Sr2 Mn2 Ir4'
_cell_volume   146.52
_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
  Sr  Sr0  2  0.0  0.0  0.86  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  4  0.41  0.41  0.75  1.0

Sr Mn Ir Ir
Sr Mn Ir Ir 0 2 o o o 0 3 o o o 0 1 o o + 