data_PtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.71
_cell_length_c   2.73
_cell_angle_alpha   80.16
_cell_angle_beta   76.57
_cell_angle_gamma   23.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtW2
_chemical_formula_sum   'Pt1 W2'
_cell_volume   47.56
_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
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.77  0.08  0.35  1.0
  W  W2  1  0.77  0.08  0.6  1.0

data_PtW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   6.71
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   99.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtW2
_chemical_formula_sum   'Pt1 W2'
_cell_volume   47.56
_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
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.35  0.23  0.16  1.0
  W  W2  1  0.6  0.23  0.16  1.0

Pt W W
Pt W W 0 1 - o o 1 2 o o o 