data_NbPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.64
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   98.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPtW2
_chemical_formula_sum   'Nb1 Pt1 W2'
_cell_volume   65.86
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  1.0  0.0  0.6  1.0
  W  W2  1  0.11  0.32  0.93  1.0
  W  W3  1  0.88  0.32  0.26  1.0

data_NbPtW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.64
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   98.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPtW2
_chemical_formula_sum   'Nb1 Pt1 W2'
_cell_volume   65.86
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  1.0  0.0  0.6  1.0
  W  W2  1  0.11  0.32  0.93  1.0
  W  W3  1  0.88  0.32  0.26  1.0

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