data_ZrAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   143.09
_cell_angle_beta   131.98
_cell_angle_gamma   62.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgW2
_chemical_formula_sum   'Zr1 Ag1 W2'
_cell_volume   71.75
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.68  1.0
  W  W1  1  0.0  0.22  0.38  1.0
  W  W2  1  0.73  0.0  0.3  1.0

data_ZrAgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.44
_cell_length_c   5.46
_cell_angle_alpha   114.01
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgW2
_chemical_formula_sum   'Zr1 Ag1 W2'
_cell_volume   71.75
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.32  0.32  0.32  1.0
  W  W2  1  0.43  0.7  0.43  1.0
  W  W3  1  0.62  0.84  0.84  1.0

Zr Ag W W
Zr Ag W W 0 2 o o o 0 1 o o - 1 3 - o o 