data_Y2BeGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.52
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   91.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeGa
_chemical_formula_sum   'Y2 Be1 Ga1'
_cell_volume   84.39
_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  0.65  0.76  0.31  1.0
  Y  Y3  1  0.68  0.76  0.64  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.94  0.0  0.47  1.0

data_Y2BeGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.52
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   91.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeGa
_chemical_formula_sum   'Y2 Be1 Ga1'
_cell_volume   84.39
_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  0.65  0.76  0.31  1.0
  Y  Y1  1  0.68  0.76  0.64  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.94  0.0  0.47  1.0

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