data_ReMoAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoAs4
_chemical_formula_sum   'Re1 Mo1 As4'
_cell_volume   103.67
_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
  Re  Re5  1  0.86  0.86  0.86  1.0
  Mo  Mo4  1  0.0  0.0  0.0  1.0
  As  As0  1  0.8  0.8  0.66  1.0
  As  As1  1  0.8  0.66  0.8  1.0
  As  As2  1  0.66  0.8  0.8  1.0
  As  As3  1  0.66  0.66  0.66  1.0

data_ReMoAs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReMoAs4
_chemical_formula_sum   'Re3 Mo3 As12'
_cell_volume   311.02
_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
  Re  Re0  3  0.0  0.0  0.14  1.0
  Mo  Mo1  3  0.0  0.0  0.0  1.0
  As  As2  9  0.09  0.04  0.25  1.0
  As  As3  3  0.0  0.0  0.34  1.0

Re Mo As As As As
MoReAs4 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three MoReAs4 clusters. Mo(1) is bonded in a single-bond geometry to one Re(1) atom. The Mo(1)-Re(1) bond length is 1.75 Å. Re(1) is bonded in a 4-coordinate geometry to one Mo(1) and three equivalent As(1) atoms. All Re(1)-As(1) bond lengths are 1.52 Å. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. All As(2)-As(1) bond lengths are 1.23 Å. In the second As site, As(1) is bonded in a 2-coordinate geometry to one Re(1), one As(2), and two equivalent As(1) atoms. Both As(1)-As(1) bond lengths are 0.71 Å.