data_YTa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   20.5
_cell_angle_beta   20.5
_cell_angle_gamma   20.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Sb
_chemical_formula_sum   'Y1 Ta2 Sb1'
_cell_volume   91.76
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.79  1.0
  Ta  Ta2  1  0.0  0.0  0.24  1.0
  Sb  Sb0  1  0.0  0.0  0.64  1.0

data_YTa2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   3.38
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2Sb
_chemical_formula_sum   'Y2 Ta4 Sb2'
_cell_volume   183.53
_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  1.0  1.0
  Ta  Ta1  2  0.0  0.0  0.21  1.0
  Ta  Ta2  2  0.0  0.0  0.76  1.0
  Sb  Sb3  2  0.0  0.0  0.36  1.0

Y Ta Ta Sb
Y Ta Ta Sb 0 1 o o - 0 2 o o o 1 3 o o o 