data_LiBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   130.91
_cell_angle_beta   130.91
_cell_angle_gamma   71.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeW2
_chemical_formula_sum   'Li1 Be1 W2'
_cell_volume   52.53
_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  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.68  1.0
  W  W2  1  0.89  0.0  0.84  1.0
  W  W3  1  0.0  0.89  0.84  1.0

data_LiBeW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   125.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBeW2
_chemical_formula_sum   'Li2 Be2 W4'
_cell_volume   105.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.68  1.0
  W  W2  4  0.06  0.06  0.95  1.0

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