data_Y2BeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeSn
_chemical_formula_sum   'Y2 Be1 Sn1'
_cell_volume   96.99
_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  0.0  1.0
  Y  Y3  1  0.72  0.72  0.5  1.0
  Be  Be0  1  0.0  0.0  0.38  1.0
  Sn  Sn1  1  0.72  0.72  0.72  1.0

data_Y2BeSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2BeSn
_chemical_formula_sum   'Y4 Be2 Sn2'
_cell_volume   193.98
_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
  Y  Y1  2  0.22  0.5  0.5  1.0
  Be  Be2  2  0.0  0.0  0.38  1.0
  Sn  Sn3  2  0.22  0.5  0.72  1.0

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