data_Y2ScBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   146.6
_cell_angle_beta   132.91
_cell_angle_gamma   58.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScBe
_chemical_formula_sum   'Y2 Sc1 Be1'
_cell_volume   96.12
_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  0.23  1.0
  Y  Y3  1  0.0  0.48  0.19  1.0
  Sc  Sc1  1  0.0  0.0  0.41  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   3.57
_cell_length_b   4.97
_cell_length_c   6.22
_cell_angle_alpha   113.55
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScBe
_chemical_formula_sum   'Y2 Sc1 Be1'
_cell_volume   96.12
_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  0.23  0.44  1.0
  Y  Y1  1  0.52  0.7  0.7  1.0
  Sc  Sc2  1  0.0  0.41  0.41  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

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