data_NaMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   4.54
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo2W
_chemical_formula_sum   'Na1 Mo2 W1'
_cell_volume   71.86
_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
  Mo  Mo0  1  0.29  0.27  0.37  1.0
  Mo  Mo1  1  0.29  0.27  0.77  1.0
  W  W3  1  0.0  0.0  0.07  1.0

data_NaMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.54
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo2W
_chemical_formula_sum   'Na1 Mo2 W1'
_cell_volume   71.86
_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
  Mo  Mo1  1  0.29  0.27  0.37  1.0
  Mo  Mo2  1  0.29  0.27  0.77  1.0
  W  W3  1  0.0  0.0  0.07  1.0

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