data_YTa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   5.08
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   95.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2As
_chemical_formula_sum   'Y1 Ta2 As1'
_cell_volume   82.59
_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  Y3  1  0.36  0.0  0.52  1.0
  Ta  Ta1  1  0.02  0.54  0.8  1.0
  Ta  Ta2  1  0.7  0.54  0.24  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YTa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.06
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2As
_chemical_formula_sum   'Y1 Ta2 As1'
_cell_volume   82.59
_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  Y0  1  0.64  0.48  0.0  1.0
  Ta  Ta1  1  0.3  0.76  0.46  1.0
  Ta  Ta2  1  0.98  0.2  0.46  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Y Ta Ta As
Y Ta Ta As 0 2 - - o 0 2 o - o 0 2 o o o 0 1 o - o 0 1 o o o 0 1 + - o 0 3 o o o 0 3 o o + 0 3 + o o 0 3 + o + 0 0 + o o 1 3 o o + 1 3 o + + 1 2 - o o 1 2 - o + 1 2 o o + 1 1 + o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 3 3 + o o 
YTa2As crystallizes in the triclinic P1 space group. Y(1) is bonded in a 14-coordinate geometry to two equivalent Y(1), four equivalent Ta(1), four equivalent Ta(2), and four equivalent As(1) atoms. Both Y(1)-Y(1) bond lengths are 3.22 Å. There are a spread of Y(1)-Ta(1) bond distances ranging from 3.00-3.68 Å. There are a spread of Y(1)-Ta(2) bond distances ranging from 3.00-3.68 Å. There are a spread of Y(1)-As(1) bond distances ranging from 2.76-3.51 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to four equivalent Y(1), three equivalent Ta(2), and two equivalent As(1) atoms. There are a spread of Ta(1)-Ta(2) bond distances ranging from 2.51-2.96 Å. There is one shorter (2.54 Å) and one longer (2.93 Å) Ta(1)-As(1) bond length. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Ta(2), three equivalent Ta(1), and three equivalent As(1) atoms. Both Ta(2)-Ta(2) bond lengths are 3.22 Å. There are a spread of Ta(2)-As(1) bond distances ranging from 2.84-3.37 Å. As(1) is bonded in a 7-coordinate geometry to four equivalent Y(1), two equivalent Ta(1), and three equivalent Ta(2) atoms.