data_Mg2MnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnIr
_chemical_formula_sum   'Mg2 Mn1 Ir1'
_cell_volume   65.0
_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
  Mg  Mg1  1  0.55  0.0  0.63  1.0
  Mg  Mg2  1  0.55  0.0  0.32  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.48  1.0

data_Mg2MnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnIr
_chemical_formula_sum   'Mg2 Mn1 Ir1'
_cell_volume   65.0
_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
  Mg  Mg0  1  0.55  0.0  0.32  1.0
  Mg  Mg1  1  0.55  0.0  0.63  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.48  1.0

Mg Mg Mn Ir
Mg2MnIr crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to two equivalent Mn(1) and two equivalent Ir(1) atoms. There is one shorter (3.56 Å) and one longer (3.66 Å) Mg(1)-Mn(1) bond length. There is one shorter (1.87 Å) and one longer (2.06 Å) Mg(1)-Ir(1) bond length. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to two equivalent Mn(1) and two equivalent Ir(1) atoms. There is one shorter (3.15 Å) and one longer (3.27 Å) Mg(2)-Mn(1) bond length. There is one shorter (1.87 Å) and one longer (2.06 Å) Mg(2)-Ir(1) bond length. Mn(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and six equivalent Mn(1) atoms. There are four shorter (2.81 Å) and two longer (3.09 Å) Mn(1)-Mn(1) bond lengths. Ir(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms.