data_Mn2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   3.03
_cell_angle_alpha   91.02
_cell_angle_beta   91.02
_cell_angle_gamma   110.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbIr
_chemical_formula_sum   'Mn2 Sb1 Ir1'
_cell_volume   62.71
_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  0.3  0.08  0.51  1.0
  Mn  Mn2  1  0.3  0.92  0.51  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.69  0.0  0.0  1.0

data_Mn2SbIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.7
_cell_length_b   3.03
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   110.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2SbIr
_chemical_formula_sum   'Mn2 Sb1 Ir1'
_cell_volume   62.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.3  0.5  0.92  1.0
  Mn  Mn1  1  0.3  0.5  0.08  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.69  0.0  0.0  1.0

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