data_ZrMnZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnZnSn
_chemical_formula_sum   'Zr1 Mn1 Zn1 Sn1'
_cell_volume   68.65
_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  Zr3  1  0.25  0.25  0.25  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.62  0.62  0.62  1.0
  Sn  Sn1  1  0.87  0.87  0.87  1.0

data_ZrMnZnSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrMnZnSn
_chemical_formula_sum   'Zr3 Mn3 Zn3 Sn3'
_cell_volume   205.96
_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  3  0.0  0.0  0.75  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Zn  Zn2  3  0.0  0.0  0.38  1.0
  Sn  Sn3  3  0.0  0.0  0.13  1.0

Zr Mn Zn Sn
Zr Mn Zn Sn 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
ZrMnZnSn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), three equivalent Zn(1), and three equivalent Sn(1) atoms. All Zr(1)-Mn(1) bond lengths are 2.81 Å. All Zr(1)-Zn(1) bond lengths are 2.69 Å. All Zr(1)-Sn(1) bond lengths are 2.69 Å. Mn(1) is bonded in a single-bond geometry to four equivalent Zr(1), three equivalent Zn(1), and one Sn(1) atom. All Mn(1)-Zn(1) bond lengths are 2.69 Å. The Mn(1)-Sn(1) bond length is 1.41 Å. Zn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Mn(1), and four equivalent Sn(1) atoms. All Zn(1)-Sn(1) bond lengths are 2.81 Å. Sn(1) is bonded in a single-bond geometry to three equivalent Zr(1), one Mn(1), and four equivalent Zn(1) atoms.