data_MnInIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.85
_cell_angle_alpha   100.39
_cell_angle_beta   100.39
_cell_angle_gamma   34.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInIr2
_chemical_formula_sum   'Mn1 In1 Ir2'
_cell_volume   60.89
_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  Mn3  1  0.13  0.0  0.6  1.0
  In  In0  1  0.6  0.0  0.16  1.0
  Ir  Ir1  1  0.1  0.0  0.67  1.0
  Ir  Ir2  1  0.55  0.0  0.46  1.0

data_MnInIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.75
_cell_length_c   4.85
_cell_angle_alpha   100.39
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInIr2
_chemical_formula_sum   'Mn1 In1 Ir2'
_cell_volume   60.89
_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  0.87  0.4  1.0
  In  In1  1  0.0  0.4  0.84  1.0
  Ir  Ir2  1  0.0  0.45  0.54  1.0
  Ir  Ir3  1  0.0  0.9  0.33  1.0

Mn In Ir Ir