data_TaPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtW2
_chemical_formula_sum   'Ta1 Pt1 W2'
_cell_volume   65.58
_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
  Ta  Ta1  1  0.0  0.0  0.24  1.0
  Pt  Pt0  1  0.7  0.0  0.44  1.0
  W  W2  1  0.7  0.0  0.79  1.0
  W  W3  1  0.0  0.0  0.59  1.0

data_TaPtW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtW2
_chemical_formula_sum   'Ta1 Pt1 W2'
_cell_volume   65.58
_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
  Ta  Ta0  1  0.0  0.0  0.24  1.0
  Pt  Pt1  1  0.7  0.0  0.44  1.0
  W  W2  1  0.0  0.0  0.59  1.0
  W  W3  1  0.7  0.0  0.79  1.0

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