data_MgIn4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn4Te
_chemical_formula_sum   'Mg1 In4 Te1'
_cell_volume   173.46
_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  Mg4  1  0.0  0.0  0.0  1.0
  In  In0  1  0.32  0.32  0.53  1.0
  In  In1  1  0.32  0.53  0.32  1.0
  In  In2  1  0.53  0.32  0.32  1.0
  In  In3  1  0.53  0.53  0.53  1.0
  Te  Te5  1  0.21  0.21  0.21  1.0

data_MgIn4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   15.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgIn4Te
_chemical_formula_sum   'Mg3 In12 Te3'
_cell_volume   520.38
_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  0.0  1.0
  In  In1  9  0.07  0.14  0.61  1.0
  In  In2  3  0.0  0.0  0.47  1.0
  Te  Te3  3  0.0  0.0  0.79  1.0

Mg In In In In Te
Mg In In In In Te 0 3 - o o 0 2 o - o 0 1 o o - 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
MgIn4Te crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted tetrahedral geometry to three equivalent In(1) and one Te(1) atom. All Mg(1)-In(1) bond lengths are 2.97 Å. The Mg(1)-Te(1) bond length is 3.27 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Mg(1), one In(2), two equivalent In(1), and one Te(1) atom. The In(1)-In(2) bond length is 2.34 Å. Both In(1)-In(1) bond lengths are 1.35 Å. The In(1)-Te(1) bond length is 2.83 Å. In the second In site, In(2) is bonded in a 3-coordinate geometry to three equivalent In(1) atoms. Te(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent In(1) atoms.