data_YIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95
_cell_length_b   9.95
_cell_length_c   9.95
_cell_angle_alpha   21.09
_cell_angle_beta   21.09
_cell_angle_gamma   21.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Sb
_chemical_formula_sum   'Y1 In2 Sb1'
_cell_volume   111.8
_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  0.26  1.0
  In  In0  1  0.0  0.0  0.04  1.0
  In  In1  1  0.0  0.0  0.87  1.0
  Sb  Sb2  1  0.0  0.0  0.6  1.0

data_YIn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   3.64
_cell_length_c   9.95
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YIn2Sb
_chemical_formula_sum   'Y2 In4 Sb2'
_cell_volume   223.6
_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  0.74  1.0
  In  In1  2  0.0  0.0  0.13  1.0
  In  In2  2  0.0  0.0  0.96  1.0
  Sb  Sb3  2  0.0  0.0  0.4  1.0

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