data_NaTaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94
_cell_length_b   10.94
_cell_length_c   10.94
_cell_angle_alpha   14.78
_cell_angle_beta   14.78
_cell_angle_gamma   14.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaW2
_chemical_formula_sum   'Na1 Ta1 W2'
_cell_volume   74.12
_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  0.18  1.0
  Ta  Ta1  1  0.0  0.0  0.32  1.0
  W  W2  1  0.0  0.0  0.05  1.0
  W  W3  1  0.0  0.0  0.11  1.0

data_NaTaW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   98.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTaW2
_chemical_formula_sum   'Na2 Ta2 W4'
_cell_volume   148.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.82  1.0
  Ta  Ta1  2  -0.0  0.0  0.68  1.0
  W  W2  2  -0.0  0.0  0.89  1.0
  W  W3  2  -0.0  0.0  0.95  1.0

Na Ta W W
Na Ta W W 0 3 o o o 0 1 o o o 2 3 o o o 