data_Sc2TiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   147.39
_cell_angle_beta   132.15
_cell_angle_gamma   59.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TiBe
_chemical_formula_sum   'Sc2 Ti1 Be1'
_cell_volume   73.32
_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
  Sc  Sc1  1  0.0  0.31  0.59  1.0
  Sc  Sc2  1  0.0  0.0  0.52  1.0
  Ti  Ti3  1  0.0  0.31  0.43  1.0
  Be  Be0  1  0.0  0.0  0.33  1.0

data_Sc2TiBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.62
_cell_length_c   5.7
_cell_angle_alpha   113.92
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TiBe
_chemical_formula_sum   'Sc2 Ti1 Be1'
_cell_volume   73.32
_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
  Sc  Sc0  1  0.41  0.72  0.72  1.0
  Sc  Sc1  1  0.48  0.48  0.48  1.0
  Ti  Ti2  1  0.57  0.88  0.88  1.0
  Be  Be3  1  0.67  0.67  0.67  1.0

Sc Sc Ti Be