data_ZrPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPbW
_chemical_formula_sum   'Zr1 Pb1 W1'
_cell_volume   62.54
_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  Zr2  1  0.0  0.0  0.89  1.0
  Pb  Pb0  1  0.46  0.42  0.22  1.0
  W  W1  1  0.0  0.84  0.87  1.0

data_ZrPbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPbW
_chemical_formula_sum   'Zr1 Pb1 W1'
_cell_volume   62.54
_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  0.89  0.0  0.0  1.0
  Pb  Pb1  1  0.22  0.46  0.42  1.0
  W  W2  1  0.87  0.0  0.84  1.0

Zr Pb W
Zr Pb W 0 2 o - o 0 1 o o + 0 1 o o o 0 1 - - + 1 2 o - - 1 2 + o - 1 2 + o o 1 1 o o + 