data_ZrCu2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   144.57
_cell_angle_beta   128.43
_cell_angle_gamma   64.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Ag
_chemical_formula_sum   'Zr1 Cu2 Ag1'
_cell_volume   63.17
_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  0.31  1.0
  Cu  Cu1  1  0.0  0.0  0.15  1.0
  Cu  Cu2  1  0.58  0.0  1.0  1.0
  Ag  Ag0  1  0.0  0.26  0.36  1.0

data_ZrCu2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.53
_cell_length_c   5.2
_cell_angle_alpha   115.79
_cell_angle_beta   107.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Ag
_chemical_formula_sum   'Zr1 Cu2 Ag1'
_cell_volume   63.17
_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  0.31  0.31  1.0
  Cu  Cu1  1  0.0  0.15  0.15  1.0
  Cu  Cu2  1  0.0  1.0  0.41  1.0
  Ag  Ag3  1  0.74  0.1  0.1  1.0

Zr Cu Cu Ag
Zr Cu Cu Ag 0 1 o o o 0 2 - o - 1 3 o o o 1 2 - o - 2 3 + o + 