data_Y2ScBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.46
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   91.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScBe
_chemical_formula_sum   'Y2 Sc1 Be1'
_cell_volume   95.99
_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  0.59  0.73  0.43  1.0
  Y  Y3  1  0.69  0.73  0.65  1.0
  Sc  Sc1  1  0.92  0.0  0.04  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Y2ScBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.46
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   91.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScBe
_chemical_formula_sum   'Y2 Sc1 Be1'
_cell_volume   95.99
_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  0.59  0.73  0.43  1.0
  Y  Y1  1  0.69  0.73  0.65  1.0
  Sc  Sc2  1  0.92  0.0  0.04  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

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