data_ScBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   150.23
_cell_angle_beta   150.23
_cell_angle_gamma   42.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2
_chemical_formula_sum   'Sc2 Be4'
_cell_volume   84.35
_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
  Sc  Sc4  1  0.0  0.0  0.0  1.0
  Sc  Sc5  1  0.0  0.8  0.26  1.0
  Be  Be0  1  0.0  0.0  0.6  1.0
  Be  Be1  1  0.8  0.0  0.18  1.0
  Be  Be2  1  0.0  0.0  0.44  1.0
  Be  Be3  1  0.8  0.0  0.34  1.0

data_ScBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.0
_cell_angle_alpha   104.89
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2
_chemical_formula_sum   'Sc2 Be4'
_cell_volume   84.35
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.46  0.26  0.46  1.0
  Be  Be2  1  0.18  0.38  0.38  1.0
  Be  Be3  1  0.34  0.54  0.54  1.0
  Be  Be4  1  0.44  0.44  0.44  1.0
  Be  Be5  1  0.6  0.6  0.6  1.0

Sc Sc Be Be Be Be