data_YBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.35
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe
_chemical_formula_sum   'Y2 Be2'
_cell_volume   86.21
_cell_formula_units_Z   2
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  0.12  1.0
  Y  Y3  1  0.7  0.18  0.69  1.0
  Be  Be0  1  0.0  0.0  0.89  1.0
  Be  Be1  1  0.7  0.18  0.92  1.0

data_YBe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   4.35
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YBe
_chemical_formula_sum   'Y2 Be2'
_cell_volume   86.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.35  0.09  0.28  1.0
  Be  Be1  2  0.35  0.09  0.52  1.0

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