data_Y2BeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   151.4
_cell_angle_beta   149.54
_cell_angle_gamma   42.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeB
_chemical_formula_sum   'Y2 Be1 B1'
_cell_volume   83.9
_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  0.74  0.0  0.08  1.0
  Y  Y3  1  0.0  0.0  0.22  1.0
  Be  Be1  1  0.0  0.0  0.53  1.0
  B  B0  1  0.0  0.85  0.28  1.0

data_Y2BeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.69
_cell_length_c   7.02
_cell_angle_alpha   105.23
_cell_angle_beta   104.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeB
_chemical_formula_sum   'Y2 Be1 B1'
_cell_volume   83.9
_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  0.92  0.65  1.0
  Y  Y1  1  0.78  0.78  0.78  1.0
  Be  Be2  1  0.47  0.47  0.47  1.0
  B  B3  1  0.72  0.57  0.57  1.0

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