data_Y2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39
_cell_length_b   9.39
_cell_length_c   9.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Be
_chemical_formula_sum   'Y16 Be8'
_cell_volume   584.97
_cell_formula_units_Z   8
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  Y8  1  0.66  0.98  0.98  1.0
  Y  Y9  1  0.98  0.66  0.98  1.0
  Y  Y10  1  0.66  0.66  0.66  1.0
  Y  Y11  1  0.98  0.98  0.66  1.0
  Y  Y12  1  0.96  0.96  0.47  1.0
  Y  Y13  1  0.45  0.96  0.96  1.0
  Y  Y14  1  0.96  0.45  0.96  1.0
  Y  Y15  1  0.96  0.47  0.96  1.0
  Y  Y16  1  0.47  0.96  0.96  1.0
  Y  Y17  1  0.96  0.96  0.45  1.0
  Y  Y18  1  0.64  0.64  0.13  1.0
  Y  Y19  1  0.15  0.64  0.64  1.0
  Y  Y20  1  0.64  0.15  0.64  1.0
  Y  Y21  1  0.64  0.13  0.64  1.0
  Y  Y22  1  0.13  0.64  0.64  1.0
  Y  Y23  1  0.64  0.64  0.15  1.0
  Be  Be0  1  0.81  0.81  0.47  1.0
  Be  Be1  1  0.47  0.47  0.47  1.0
  Be  Be2  1  0.81  0.47  0.81  1.0
  Be  Be3  1  0.47  0.81  0.81  1.0
  Be  Be4  1  0.79  0.79  0.13  1.0
  Be  Be5  1  0.13  0.13  0.13  1.0
  Be  Be6  1  0.79  0.13  0.79  1.0
  Be  Be7  1  0.13  0.79  0.79  1.0

data_Y2Be
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.39
_cell_length_b   9.39
_cell_length_c   22.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2Be
_chemical_formula_sum   'Y48 Be24'
_cell_volume   1754.91
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.01  0.5  0.55  1.0
  Y  Y1  9  0.01  0.5  0.87  1.0
  Y  Y2  9  0.17  0.34  0.87  1.0
  Y  Y3  9  0.17  0.34  0.19  1.0
  Y  Y4  9  0.21  0.11  0.13  1.0
  Y  Y5  3  0.0  0.0  0.34  1.0
  Be  Be6  9  0.11  0.55  0.77  1.0
  Be  Be7  9  0.22  0.44  0.97  1.0
  Be  Be8  3  0.0  0.0  0.53  1.0
  Be  Be9  3  0.0  0.0  0.87  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Be Be Be Be Be Be Be Be