data_Mn2ReIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReIr
_chemical_formula_sum   'Mn2 Re1 Ir1'
_cell_volume   52.14
_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  0.34  0.16  0.33  1.0
  Mn  Mn2  1  0.34  0.84  0.33  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.67  0.0  0.0  1.0

data_Mn2ReIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   107.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReIr
_chemical_formula_sum   'Mn2 Re1 Ir1'
_cell_volume   52.14
_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  0.33  0.34  0.16  1.0
  Mn  Mn1  1  0.33  0.34  0.84  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.67  0.0  1.0

Mn Mn Re Ir