data_Mn2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   17.73
_cell_angle_beta   17.73
_cell_angle_gamma   17.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2IrOs
_chemical_formula_sum   'Mn2 Ir1 Os1'
_cell_volume   52.11
_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
  Mn  Mn1  1  0.0  0.0  0.43  1.0
  Mn  Mn2  1  0.0  0.0  0.41  1.0
  Ir  Ir0  1  0.0  0.0  0.01  1.0
  Os  Os3  1  0.0  0.0  0.88  1.0

data_Mn2IrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   2.66
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2IrOs
_chemical_formula_sum   'Mn4 Ir2 Os2'
_cell_volume   104.22
_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
  Mn  Mn0  2  -0.0  0.0  0.57  1.0
  Mn  Mn1  2  -0.0  0.0  0.59  1.0
  Ir  Ir2  2  -0.0  0.0  0.99  1.0
  Os  Os3  2  0.0  0.0  0.12  1.0

Mn Mn Ir Os
Mn Mn Ir Os 0 1 o o o 2 3 o o - 