data_Y2TiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   145.24
_cell_angle_beta   133.07
_cell_angle_gamma   59.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiBe
_chemical_formula_sum   'Y2 Ti1 Be1'
_cell_volume   88.16
_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  0.79  0.0  0.15  1.0
  Y  Y3  1  0.0  0.38  0.04  1.0
  Ti  Ti1  1  0.0  0.0  0.19  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Y2TiBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.76
_cell_length_c   5.98
_cell_angle_alpha   113.46
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiBe
_chemical_formula_sum   'Y2 Ti1 Be1'
_cell_volume   88.16
_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  0.15  0.36  1.0
  Y  Y1  1  0.62  0.66  0.66  1.0
  Ti  Ti2  1  0.0  0.19  0.19  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

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