data_MgTaCuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaCuRh
_chemical_formula_sum   'Mg1 Ta1 Cu1 Rh1'
_cell_volume   61.77
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.14  0.14  0.14  1.0
  Cu  Cu0  1  0.57  0.57  0.57  1.0
  Rh  Rh2  1  0.71  0.71  0.71  1.0

data_MgTaCuRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgTaCuRh
_chemical_formula_sum   'Mg3 Ta3 Cu3 Rh3'
_cell_volume   185.32
_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
  Ta  Ta1  3  0.0  0.0  0.86  1.0
  Cu  Cu2  3  0.0  0.0  0.43  1.0
  Rh  Rh3  3  0.0  0.0  0.29  1.0

Mg Ta Cu Rh
Mg Ta Cu Rh 0 1 o o o 2 3 o o o 
MgTaRhCu is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three MgTa clusters and three RhCu clusters. In each MgTa cluster, Mg(1) is bonded in a distorted single-bond geometry to one Ta(1) atom. The Mg(1)-Ta(1) bond length is 1.50 Å. Ta(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In each RhCu cluster, Rh(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. The Rh(1)-Cu(1) bond length is 1.50 Å. Cu(1) is bonded in a single-bond geometry to one Rh(1) atom.