data_ZrCuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuAg2
_chemical_formula_sum   'Zr1 Cu1 Ag2'
_cell_volume   72.19
_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  0.01  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.51  0.92  0.44  1.0
  Ag  Ag1  1  0.51  0.08  0.44  1.0

data_ZrCuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   108.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuAg2
_chemical_formula_sum   'Zr1 Cu1 Ag2'
_cell_volume   72.19
_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  0.01  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.44  0.51  0.08  1.0
  Ag  Ag3  1  0.44  0.51  0.92  1.0

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