data_Y2TiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   147.73
_cell_angle_beta   132.41
_cell_angle_gamma   58.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiBe
_chemical_formula_sum   'Y2 Ti1 Be1'
_cell_volume   87.89
_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  0.08  1.0
  Y  Y3  1  0.0  0.45  0.28  1.0
  Ti  Ti1  1  0.69  0.0  0.18  1.0
  Be  Be0  1  0.0  0.0  0.06  1.0

data_Y2TiBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.91
_cell_length_c   6.08
_cell_angle_alpha   113.8
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiBe
_chemical_formula_sum   'Y2 Ti1 Be1'
_cell_volume   87.89
_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  0.0  0.08  0.08  1.0
  Y  Y1  1  0.55  0.83  0.83  1.0
  Ti  Ti2  1  0.0  0.18  0.49  1.0
  Be  Be3  1  0.0  0.06  0.06  1.0

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