data_MgMnBeIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnBeIn
_chemical_formula_sum   'Mg1 Mn1 Be1 In1'
_cell_volume   65.22
_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  Mg2  1  0.6  0.6  0.6  1.0
  Mn  Mn3  1  0.19  0.19  0.19  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.79  0.79  0.79  1.0

data_MgMnBeIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgMnBeIn
_chemical_formula_sum   'Mg3 Mn3 Be3 In3'
_cell_volume   195.65
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.4  1.0
  Mn  Mn1  3  0.0  0.0  0.81  1.0
  Be  Be2  3  0.0  0.0  -0.0  1.0
  In  In3  3  0.0  0.0  0.21  1.0

Mg Mn Be In
Mg Mn Be In 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 - - o 1 3 - o - 1 3 o - - 2 3 - - - 
MgBeMnIn crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted single-bond geometry to three equivalent Be(1), three equivalent Mn(1), and one In(1) atom. All Mg(1)-Be(1) bond lengths are 2.72 Å. All Mg(1)-Mn(1) bond lengths are 2.72 Å. The Mg(1)-In(1) bond length is 2.16 Å. Be(1) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Mn(1), and one In(1) atom. The Be(1)-Mn(1) bond length is 2.16 Å. The Be(1)-In(1) bond length is 2.30 Å. Mn(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), one Be(1), and three equivalent In(1) atoms. All Mn(1)-In(1) bond lengths are 2.72 Å. In(1) is bonded in a 2-coordinate geometry to one Mg(1), one Be(1), and three equivalent Mn(1) atoms.