data_MnCrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrIr
_chemical_formula_sum   'Mn1 Cr1 Ir1'
_cell_volume   36.93
_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  0.33  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.02  0.17  0.31  1.0

data_MnCrIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.04
_cell_length_c   4.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrIr
_chemical_formula_sum   'Mn1 Cr1 Ir1'
_cell_volume   36.93
_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  0.33  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.31  0.02  0.17  1.0

Mn Cr Ir
Mn Cr Ir 0 2 o o o 1 2 o o o 