data_LiP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   138.66
_cell_angle_beta   138.66
_cell_angle_gamma   59.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP2W
_chemical_formula_sum   'Li1 P2 W1'
_cell_volume   54.28
_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
  P  P1  1  0.77  0.0  0.17  1.0
  P  P2  1  0.0  0.0  0.34  1.0
  W  W3  1  0.0  0.77  0.17  1.0

data_LiP2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   5.01
_cell_angle_alpha   110.67
_cell_angle_beta   110.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP2W
_chemical_formula_sum   'Li1 P2 W1'
_cell_volume   54.28
_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
  P  P1  1  0.17  0.4  0.4  1.0
  P  P2  1  0.34  0.34  0.34  1.0
  W  W3  1  0.4  0.17  0.4  1.0

Li P P W