data_Li2BeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   4.35
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeCu
_chemical_formula_sum   'Li2 Be1 Cu1'
_cell_volume   47.12
_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
  Li  Li2  1  0.25  0.18  0.25  1.0
  Li  Li3  1  0.74  0.18  0.08  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.99  0.0  0.16  1.0

data_Li2BeCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.35
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeCu
_chemical_formula_sum   'Li2 Be1 Cu1'
_cell_volume   47.12
_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
  Li  Li0  1  0.25  0.18  0.25  1.0
  Li  Li1  1  0.74  0.18  0.08  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.99  0.0  0.16  1.0

Li Li Be Cu