data_Y2InSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   122.21
_cell_angle_beta   122.21
_cell_angle_gamma   86.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2InSn
_chemical_formula_sum   'Y2 In1 Sn1'
_cell_volume   144.34
_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  0.88  0.18  1.0
  Y  Y3  1  0.88  0.0  0.18  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.35  1.0

data_Y2InSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   133.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2InSn
_chemical_formula_sum   'Y4 In2 Sn2'
_cell_volume   288.67
_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  4  0.06  0.06  0.3  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.35  1.0

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