data_Mn2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.77
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbIr
_chemical_formula_sum   'Mn2 Sb1 Ir1'
_cell_volume   64.52
_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  0.58  1.0
  Mn  Mn2  1  0.53  0.88  0.32  1.0
  Sb  Sb3  1  0.0  0.0  0.77  1.0
  Ir  Ir0  1  0.53  0.88  0.3  1.0

data_Mn2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.77
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbIr
_chemical_formula_sum   'Mn2 Sb1 Ir1'
_cell_volume   64.52
_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  0.58  1.0
  Mn  Mn1  1  0.53  0.88  0.32  1.0
  Sb  Sb2  1  0.0  0.0  0.77  1.0
  Ir  Ir3  1  0.53  0.88  0.3  1.0

Mn Mn Sb Ir
Mn Mn Sb Ir 0 2 o o o 1 3 o o o 