data_Li2BeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   2.58
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeW
_chemical_formula_sum   'Li2 Be1 W1'
_cell_volume   56.94
_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  Li1  1  0.43  0.0  0.17  1.0
  Li  Li2  1  0.43  0.0  0.09  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.63  1.0

data_Li2BeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   2.58
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeW
_chemical_formula_sum   'Li2 Be1 W1'
_cell_volume   56.94
_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  0.43  0.0  0.09  1.0
  Li  Li1  1  0.43  0.0  0.17  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.63  1.0

Li Li Be W
Li Li Be W 0 1 o o o 1 2 o o o 3 3 + + o 3 3 o + o 3 3 + o o 