data_LiNb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52
_cell_length_b   10.52
_cell_length_c   10.52
_cell_angle_alpha   15.31
_cell_angle_beta   15.31
_cell_angle_gamma   15.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2W
_chemical_formula_sum   'Li1 Nb2 W1'
_cell_volume   70.71
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.74  1.0
  Nb  Nb2  1  0.0  0.0  0.44  1.0
  W  W3  1  0.0  0.0  0.59  1.0

data_LiNb2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNb2W
_chemical_formula_sum   'Li2 Nb4 W2'
_cell_volume   141.42
_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
  Nb  Nb1  2  0.0  0.0  0.56  1.0
  Nb  Nb2  2  0.0  0.0  0.26  1.0
  W  W3  2  0.0  0.0  0.41  1.0

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