data_Na2ZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   5.51
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrW
_chemical_formula_sum   'Na2 Zr1 W1'
_cell_volume   87.81
_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  0.37  0.05  0.9  1.0
  Na  Na1  1  0.37  0.45  0.9  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.75  0.0  1.0

data_Na2ZrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.51
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrW
_chemical_formula_sum   'Na2 Zr1 W1'
_cell_volume   87.81
_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  0.37  0.05  0.9  1.0
  Na  Na1  1  0.37  0.45  0.9  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  W  W3  1  -0.0  0.75  0.0  1.0

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