data_NaPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   155.64
_cell_angle_beta   135.62
_cell_angle_gamma   51.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPtW2
_chemical_formula_sum   'Na1 Pt1 W2'
_cell_volume   72.65
_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
  Pt  Pt1  1  0.0  0.0  0.7  1.0
  W  W2  1  0.0  0.39  0.35  1.0
  W  W3  1  0.33  0.0  0.35  1.0

data_NaPtW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.78
_cell_length_c   6.32
_cell_angle_alpha   112.19
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPtW2
_chemical_formula_sum   'Na1 Pt1 W2'
_cell_volume   72.65
_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
  Pt  Pt1  1  0.3  0.3  0.3  1.0
  W  W2  1  0.65  0.04  0.04  1.0
  W  W3  1  0.98  0.65  0.98  1.0

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