data_Mg2MnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.2
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   35.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnIn
_chemical_formula_sum   'Mg2 Mn1 In1'
_cell_volume   80.65
_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  0.95  0.0  0.07  1.0
  Mg  Mg2  1  0.61  0.0  0.75  1.0
  Mn  Mn3  1  0.42  0.0  0.55  1.0
  In  In0  1  0.25  0.0  0.34  1.0

data_Mg2MnIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.2
_cell_length_c   5.22
_cell_angle_alpha   101.31
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnIn
_chemical_formula_sum   'Mg2 Mn1 In1'
_cell_volume   80.65
_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  0.0  0.07  0.95  1.0
  Mg  Mg1  1  0.0  0.75  0.61  1.0
  Mn  Mn2  1  0.0  0.55  0.42  1.0
  In  In3  1  0.0  0.34  0.25  1.0

Mg Mg Mn In
Mg Mg Mn In 0 1 o o - 0 3 + o o 1 2 o o o 2 3 o o o 
Mg2MnIn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2MnIn cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Mg(1)-In(1) bond length is 1.91 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mn(1) atom. The Mg(2)-Mn(1) bond length is 1.27 Å. Mn(1) is bonded in a linear geometry to one Mg(2) and one In(1) atom. The Mn(1)-In(1) bond length is 1.28 Å. In(1) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom.