data_LiBe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   151.42
_cell_angle_beta   129.11
_cell_angle_gamma   59.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2W
_chemical_formula_sum   'Li1 Be2 W1'
_cell_volume   46.88
_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  0.0  0.0  0.15  1.0
  Be  Be0  1  0.0  0.0  0.21  1.0
  Be  Be1  1  0.24  0.0  0.04  1.0
  W  W3  1  0.0  0.16  0.33  1.0

data_LiBe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   4.32
_cell_length_c   5.03
_cell_angle_alpha   115.45
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2W
_chemical_formula_sum   'Li1 Be2 W1'
_cell_volume   46.88
_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  0.85  0.85  0.85  1.0
  Be  Be1  1  0.2  0.96  0.2  1.0
  Be  Be2  1  0.79  0.79  0.79  1.0
  W  W3  1  0.67  0.83  0.83  1.0

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