data_TaZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2W
_chemical_formula_sum   'Ta1 Zn2 W1'
_cell_volume   63.86
_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
  Ta  Ta0  1  0.0  0.0  0.45  1.0
  Zn  Zn2  1  0.0  0.0  0.81  1.0
  Zn  Zn3  1  0.65  0.0  0.7  1.0
  W  W1  1  0.65  0.0  0.13  1.0

data_TaZn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2W
_chemical_formula_sum   'Ta1 Zn2 W1'
_cell_volume   63.86
_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
  Ta  Ta0  1  0.0  0.0  0.45  1.0
  Zn  Zn1  1  0.0  0.0  0.81  1.0
  Zn  Zn2  1  0.65  0.0  0.7  1.0
  W  W3  1  0.65  0.0  0.13  1.0

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