data_YTiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiSb2
_chemical_formula_sum   'Y1 Ti1 Sb2'
_cell_volume   96.58
_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
  Y  Y3  1  0.52  0.52  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.52  0.0  0.9  1.0
  Sb  Sb1  1  0.0  0.52  0.9  1.0

data_YTiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTiSb2
_chemical_formula_sum   'Y2 Ti2 Sb4'
_cell_volume   193.16
_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  0.02  0.5  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.26  0.26  0.9  1.0

Y Ti Sb Sb
Y Ti Sb Sb 0 3 o o - 0 3 + o - 0 2 o o - 0 2 o + - 1 2 - o - 1 2 o o - 1 3 o - - 1 3 o o - 