data_Y3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn4
_chemical_formula_sum   'Y3 Sn4'
_cell_volume   198.62
_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  Y4  1  0.6  0.78  0.79  1.0
  Y  Y5  1  0.21  0.0  0.79  1.0
  Y  Y6  1  0.4  0.78  0.79  1.0
  Sn  Sn0  1  0.0  0.0  0.17  1.0
  Sn  Sn1  1  0.0  0.0  0.4  1.0
  Sn  Sn2  1  0.0  0.7  0.0  1.0
  Sn  Sn3  1  0.21  0.85  0.0  1.0

data_Y3Sn4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn4
_chemical_formula_sum   'Y3 Sn4'
_cell_volume   198.62
_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  Y0  1  0.79  0.21  0.0  1.0
  Y  Y1  1  0.79  0.4  0.78  1.0
  Y  Y2  1  0.79  0.6  0.78  1.0
  Sn  Sn3  1  0.0  0.0  0.7  1.0
  Sn  Sn4  1  0.0  0.21  0.85  1.0
  Sn  Sn5  1  0.17  0.0  0.0  1.0
  Sn  Sn6  1  0.4  0.0  0.0  1.0

Y Y Y Sn Sn Sn Sn