data_MnCr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   3.81
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Ir
_chemical_formula_sum   'Mn1 Cr2 Ir1'
_cell_volume   49.0
_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  0.78  0.0  0.8  1.0
  Cr  Cr0  1  0.2  0.91  0.97  1.0
  Cr  Cr1  1  0.84  0.0  0.16  1.0
  Ir  Ir2  1  0.02  0.91  0.49  1.0

data_MnCr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.81
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Ir
_chemical_formula_sum   'Mn1 Cr2 Ir1'
_cell_volume   49.0
_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  0.78  0.0  0.8  1.0
  Cr  Cr1  1  0.2  0.91  0.97  1.0
  Cr  Cr2  1  0.84  0.0  0.16  1.0
  Ir  Ir3  1  0.02  0.91  0.49  1.0

Mn Cr Cr Ir