data_Y2CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98
_cell_length_b   9.98
_cell_length_c   9.98
_cell_angle_alpha   21.28
_cell_angle_beta   21.28
_cell_angle_gamma   21.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CdIn
_chemical_formula_sum   'Y2 Cd1 In1'
_cell_volume   114.65
_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  Y2  1  0.0  0.0  0.94  1.0
  Y  Y3  1  0.0  0.0  0.31  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.63  1.0

data_Y2CdIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   3.68
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   102.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2CdIn
_chemical_formula_sum   'Y4 Cd2 In2'
_cell_volume   229.31
_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  0.06  1.0
  Y  Y1  2  0.0  0.0  0.69  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.0  0.0  0.37  1.0

Y Y Cd In
Y Y Cd In 0 2 o o + 0 1 o o + 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 