data_Zr6Co16Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   8.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Co16Si7
_chemical_formula_sum   'Zr6 Co16 Si7'
_cell_volume   362.58
_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
  Zr  Zr23  1  0.66  0.66  0.33  1.0
  Zr  Zr24  1  0.66  0.33  0.66  1.0
  Zr  Zr25  1  0.66  0.66  0.99  1.0
  Zr  Zr26  1  0.99  0.66  0.66  1.0
  Zr  Zr27  1  0.66  0.99  0.66  1.0
  Zr  Zr28  1  0.33  0.66  0.66  1.0
  Co  Co0  1  0.36  0.3  0.3  1.0
  Co  Co1  1  0.3  0.36  0.3  1.0
  Co  Co2  1  0.3  0.3  0.36  1.0
  Co  Co3  1  0.36  0.36  0.36  1.0
  Co  Co4  1  0.02  0.96  0.02  1.0
  Co  Co5  1  0.96  0.02  0.02  1.0
  Co  Co6  1  0.02  0.02  0.96  1.0
  Co  Co7  1  0.96  0.96  0.96  1.0
  Co  Co8  1  0.72  0.94  0.94  1.0
  Co  Co9  1  0.94  0.72  0.94  1.0
  Co  Co10  1  0.38  0.38  0.6  1.0
  Co  Co11  1  0.6  0.6  0.6  1.0
  Co  Co12  1  0.94  0.94  0.72  1.0
  Co  Co13  1  0.72  0.72  0.72  1.0
  Co  Co14  1  0.38  0.6  0.38  1.0
  Co  Co15  1  0.6  0.38  0.38  1.0
  Si  Si16  1  0.0  0.0  0.0  1.0
  Si  Si17  1  0.83  0.83  0.0  1.0
  Si  Si18  1  0.83  0.0  0.83  1.0
  Si  Si19  1  0.83  0.83  0.66  1.0
  Si  Si20  1  0.83  0.66  0.83  1.0
  Si  Si21  1  0.0  0.83  0.83  1.0
  Si  Si22  1  0.66  0.83  0.83  1.0

data_Zr6Co16Si7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   19.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr6Co16Si7
_chemical_formula_sum   'Zr18 Co48 Si21'
_cell_volume   1087.74
_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
  Zr  Zr0  9  0.11  0.22  0.23  1.0
  Zr  Zr1  9  0.22  0.11  0.45  1.0
  Co  Co2  9  0.02  0.04  0.68  1.0
  Co  Co3  9  0.04  0.02  0.0  1.0
  Co  Co4  9  0.07  0.15  0.55  1.0
  Co  Co5  9  0.15  0.07  0.13  1.0
  Co  Co6  3  0.0  0.0  0.04  1.0
  Co  Co7  3  0.0  0.0  0.28  1.0
  Co  Co8  3  0.0  0.0  0.4  1.0
  Co  Co9  3  0.0  0.0  0.64  1.0
  Si  Si10  9  0.06  0.11  0.11  1.0
  Si  Si11  9  0.11  0.06  0.23  1.0
  Si  Si12  3  0.0  0.0  -0.0  1.0

Zr Zr Zr Zr Zr Zr Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Si Si Si Si Si Si Si
Zr6Co16Si7 crystallizes in the trigonal R3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to one Co(7), two equivalent Co(6), and one Si(2) atom. The Zr(1)-Co(7) bond length is 1.79 Å. Both Zr(1)-Co(6) bond lengths are 2.33 Å. The Zr(1)-Si(2) bond length is 2.32 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Co(8), two equivalent Co(6), and two equivalent Si(3) atoms. The Zr(2)-Co(8) bond length is 1.79 Å. Both Zr(2)-Co(6) bond lengths are 2.76 Å. Both Zr(2)-Si(3) bond lengths are 1.31 Å. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. The Co(1)-Co(2) bond length is 0.75 Å. Both Co(1)-Co(1) bond lengths are 0.43 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Co(6) atoms. All Co(2)-Co(6) bond lengths are 2.14 Å. In the third Co site, Co(3) is bonded in a single-bond geometry to one Co(4) and one Si(1) atom. The Co(3)-Co(4) bond length is 0.75 Å. The Co(3)-Si(1) bond length is 0.25 Å. In the fourth Co site, Co(4) is bonded in a 7-coordinate geometry to three equivalent Co(3), one Si(1), and three equivalent Si(2) atoms. The Co(4)-Si(1) bond length is 0.73 Å. All Co(4)-Si(2) bond lengths are 1.69 Å. In the fifth Co site, Co(5) is bonded in a distorted L-shaped geometry to one Si(3) and two equivalent Si(2) atoms. The Co(5)-Si(3) bond length is 1.84 Å. Both Co(5)-Si(2) bond lengths are 1.00 Å. In the sixth Co site, Co(6) is bonded in a 7-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Co(2), and two equivalent Co(6) atoms. Both Co(6)-Co(6) bond lengths are 1.76 Å. In the seventh Co site, Co(7) is bonded in a 3-coordinate geometry to three equivalent Zr(1) and one Co(8) atom. The Co(7)-Co(8) bond length is 2.37 Å. In the eighth Co site, Co(8) is bonded in a 7-coordinate geometry to three equivalent Zr(2), one Co(7), and three equivalent Si(3) atoms. All Co(8)-Si(3) bond lengths are 1.30 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted trigonal planar geometry to one Co(4) and three equivalent Co(3) atoms. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one Zr(1), one Co(4), and two equivalent Co(5) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to two equivalent Zr(2), one Co(5), one Co(8), and two equivalent Si(3) atoms. Both Si(3)-Si(3) bond lengths are 1.36 Å.