data_MnSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.49
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   91.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnIr2
_chemical_formula_sum   'Mn1 Sn1 Ir2'
_cell_volume   64.07
_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  Mn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.37  0.0  0.47  1.0
  Ir  Ir0  1  0.59  0.24  0.78  1.0
  Ir  Ir1  1  0.15  0.24  0.17  1.0

data_MnSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.49
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   91.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnIr2
_chemical_formula_sum   'Mn1 Sn1 Ir2'
_cell_volume   64.07
_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  Mn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.37  0.0  0.47  1.0
  Ir  Ir2  1  0.15  0.24  0.17  1.0
  Ir  Ir3  1  0.59  0.24  0.78  1.0

Mn Sn Ir Ir
Mn Sn Ir Ir 0 3 o o o 0 2 o o - 0 2 - o - 1 3 o o o 1 2 o o o 2 3 o o + 