data_Na2ScW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   5.92
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   91.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScW
_chemical_formula_sum   'Na2 Sc1 W1'
_cell_volume   85.67
_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  0.07  0.96  0.36  1.0
  Na  Na1  1  0.58  0.96  0.84  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.32  0.0  0.6  1.0

data_Na2ScW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.2
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScW
_chemical_formula_sum   'Na2 Sc1 W1'
_cell_volume   85.67
_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  0.42  0.16  0.04  1.0
  Na  Na1  1  0.93  0.64  0.04  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.68  0.4  0.0  1.0

Na Na Sc W
Na Na Sc W 0 3 o + o 1 3 o + o 1 2 + + + 