data_NaScW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.05
_cell_angle_alpha   92.05
_cell_angle_beta   92.05
_cell_angle_gamma   32.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScW2
_chemical_formula_sum   'Na1 Sc1 W2'
_cell_volume   77.11
_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  0.57  0.0  0.04  1.0
  Sc  Sc1  1  0.89  0.0  0.37  1.0
  W  W2  1  0.81  0.0  0.92  1.0
  W  W3  1  0.18  0.0  0.78  1.0

data_NaScW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.87
_cell_length_c   6.05
_cell_angle_alpha   92.05
_cell_angle_beta   90.0
_cell_angle_gamma   106.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScW2
_chemical_formula_sum   'Na1 Sc1 W2'
_cell_volume   77.11
_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  0.43  0.96  1.0
  Sc  Sc1  1  0.0  0.11  0.63  1.0
  W  W2  1  0.0  0.19  0.08  1.0
  W  W3  1  0.0  0.82  0.22  1.0

Na Sc W W