data_NaAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   148.17
_cell_angle_beta   114.64
_cell_angle_gamma   74.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2W
_chemical_formula_sum   'Na1 As2 W1'
_cell_volume   86.15
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.56  0.0  0.57  1.0
  As  As1  1  0.0  0.06  0.95  1.0
  W  W3  1  0.0  0.0  0.52  1.0

data_NaAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   65.36
_cell_angle_beta   74.08
_cell_angle_gamma   74.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2W
_chemical_formula_sum   'Na1 As2 W1'
_cell_volume   86.15
_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  0.0  0.0  1.0
  As  As1  1  0.01  0.56  0.43  1.0
  As  As2  1  0.95  0.0  0.12  1.0
  W  W3  1  0.52  -0.0  0.48  1.0

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