data_TiPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.7
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   97.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPbW2
_chemical_formula_sum   'Ti1 Pb1 W2'
_cell_volume   74.32
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.1  0.0  0.69  1.0
  W  W2  1  0.92  0.35  0.16  1.0
  W  W3  1  0.29  0.35  0.23  1.0

data_TiPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.7
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   97.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPbW2
_chemical_formula_sum   'Ti1 Pb1 W2'
_cell_volume   74.32
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.1  0.0  0.69  1.0
  W  W2  1  0.29  0.35  0.23  1.0
  W  W3  1  0.92  0.35  0.16  1.0

Ti Pb W W
Ti Pb W W 0 2 - o o 0 1 o o - 2 3 + o o 