data_ZrTaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.63
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaW2
_chemical_formula_sum   'Zr1 Ta1 W2'
_cell_volume   71.55
_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
  Zr  Zr3  1  0.96  0.0  0.69  1.0
  Ta  Ta0  1  0.93  0.32  0.08  1.0
  W  W1  1  0.84  0.0  0.03  1.0
  W  W2  1  0.95  0.32  0.29  1.0

data_ZrTaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.63
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaW2
_chemical_formula_sum   'Zr1 Ta1 W2'
_cell_volume   71.55
_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
  Zr  Zr0  1  0.96  0.0  0.69  1.0
  Ta  Ta1  1  0.93  0.32  0.08  1.0
  W  W2  1  0.84  0.0  0.03  1.0
  W  W3  1  0.95  0.32  0.29  1.0

Zr Ta W W
Zr Ta W W 0 2 o o + 1 3 o o o 1 2 o o o 