data_MgCrInW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrInW
_chemical_formula_sum   'Mg1 Cr1 In1 W1'
_cell_volume   66.41
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.82  0.82  0.82  1.0
  In  In1  1  0.61  0.61  0.61  1.0
  W  W3  1  0.21  0.21  0.21  1.0

data_MgCrInW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgCrInW
_chemical_formula_sum   'Mg3 Cr3 In3 W3'
_cell_volume   199.24
_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
  Cr  Cr1  3  0.0  0.0  0.18  1.0
  In  In2  3  0.0  0.0  0.39  1.0
  W  W3  3  0.0  0.0  0.79  1.0

Mg Cr In W
MgWCrIn crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted linear geometry to four equivalent W(1), one Cr(1), and three equivalent In(1) atoms. There is one shorter (2.39 Å) and three longer (2.94 Å) Mg(1)-W(1) bond lengths. The Mg(1)-Cr(1) bond length is 1.99 Å. All Mg(1)-In(1) bond lengths are 2.71 Å. W(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), three equivalent Cr(1), and three equivalent In(1) atoms. All W(1)-Cr(1) bond lengths are 2.71 Å. All W(1)-In(1) bond lengths are 2.71 Å. Cr(1) is bonded in a 1-coordinate geometry to one Mg(1), three equivalent W(1), and one In(1) atom. The Cr(1)-In(1) bond length is 2.39 Å. In(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), three equivalent W(1), and one Cr(1) atom.