data_NaLi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.49
_cell_angle_alpha   95.3
_cell_angle_beta   95.3
_cell_angle_gamma   27.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2W
_chemical_formula_sum   'Na1 Li2 W1'
_cell_volume   71.84
_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
  Na  Na2  1  0.97  0.0  0.85  1.0
  Li  Li0  1  0.4  0.0  0.23  1.0
  Li  Li1  1  0.27  0.0  0.97  1.0
  W  W3  1  0.66  0.0  0.14  1.0

data_NaLi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   5.37
_cell_length_c   5.49
_cell_angle_alpha   95.3
_cell_angle_beta   90.0
_cell_angle_gamma   103.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2W
_chemical_formula_sum   'Na1 Li2 W1'
_cell_volume   71.84
_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
  Na  Na0  1  0.0  0.03  0.15  1.0
  Li  Li1  1  0.0  0.6  0.77  1.0
  Li  Li2  1  0.0  0.73  0.03  1.0
  W  W3  1  0.0  0.34  0.86  1.0

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