data_LiCuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuW2
_chemical_formula_sum   'Li1 Cu1 W2'
_cell_volume   57.07
_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
  Cu  Cu0  1  0.57  0.0  0.0  1.0
  W  W2  1  0.29  0.1  0.32  1.0
  W  W3  1  0.29  0.9  0.32  1.0

data_LiCuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   117.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuW2
_chemical_formula_sum   'Li1 Cu1 W2'
_cell_volume   57.07
_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
  Cu  Cu1  1  0.0  0.57  0.0  1.0
  W  W2  1  0.32  0.29  0.9  1.0
  W  W3  1  0.32  0.29  0.1  1.0

Li Cu W W
Li Cu W W 0 2 o o o 1 3 o - o 2 3 o - o 