data_YGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   134.74
_cell_angle_beta   134.74
_cell_angle_gamma   65.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Sn
_chemical_formula_sum   'Y1 Ga2 Sn1'
_cell_volume   88.09
_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
  Ga  Ga0  1  0.0  0.16  0.36  1.0
  Ga  Ga1  1  0.16  0.0  0.36  1.0
  Sn  Sn2  1  0.0  0.0  0.71  1.0

data_YGa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   122.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YGa2Sn
_chemical_formula_sum   'Y2 Ga4 Sn2'
_cell_volume   176.19
_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  0.0  1.0
  Ga  Ga1  4  0.42  0.42  0.19  1.0
  Sn  Sn2  2  0.0  0.0  0.71  1.0

Y Ga Ga Sn
Y Ga Ga Sn 0 1 o o o 0 3 o o - 0 2 o o o 1 2 o o o 