data_BaLiBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   4.36
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiBe2
_chemical_formula_sum   'Ba1 Li1 Be2'
_cell_volume   89.0
_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
  Ba  Ba0  1  0.2  0.0  0.81  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.68  0.18  0.08  1.0
  Be  Be2  1  0.72  0.18  0.54  1.0

data_BaLiBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.36
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiBe2
_chemical_formula_sum   'Ba1 Li1 Be2'
_cell_volume   89.0
_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
  Ba  Ba0  1  0.2  0.0  0.81  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.68  0.18  0.08  1.0
  Be  Be3  1  0.72  0.18  0.54  1.0

Ba Li Be Be