data_YTaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaZn2
_chemical_formula_sum   'Y1 Ta1 Zn2'
_cell_volume   76.0
_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
  Y  Y1  1  0.0  0.0  0.11  1.0
  Ta  Ta0  1  0.54  0.54  0.71  1.0
  Zn  Zn2  1  0.54  0.54  0.34  1.0
  Zn  Zn3  1  0.0  0.0  0.89  1.0

data_YTaZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaZn2
_chemical_formula_sum   'Y2 Ta2 Zn4'
_cell_volume   152.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.11  1.0
  Ta  Ta1  2  0.04  0.5  0.71  1.0
  Zn  Zn2  2  0.0  0.0  0.89  1.0
  Zn  Zn3  2  0.04  0.5  0.34  1.0

Y Ta Zn Zn
Y Ta Zn Zn 0 3 o o - 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 2 + o o 2 2 o + o 
YTaZn2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a distorted single-bond geometry to one Zn(2) and four equivalent Zn(1) atoms. The Y(1)-Zn(2) bond length is 1.78 Å. There are a spread of Y(1)-Zn(1) bond distances ranging from 2.76-3.01 Å. Ta(1) is bonded in a 5-coordinate geometry to one Zn(1) and four equivalent Zn(2) atoms. The Ta(1)-Zn(1) bond length is 2.95 Å. There are a spread of Ta(1)-Zn(2) bond distances ranging from 2.46-2.73 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to four equivalent Y(1) and one Ta(1) atom. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Y(1) and four equivalent Ta(1) atoms.