data_ZrCu2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   31.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Ag
_chemical_formula_sum   'Zr1 Cu2 Ag1'
_cell_volume   64.41
_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  0.49  1.0
  Cu  Cu1  1  0.0  0.0  0.92  1.0
  Cu  Cu2  1  0.12  0.0  0.21  1.0
  Ag  Ag0  1  0.12  0.0  0.03  1.0

data_ZrCu2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.25
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Ag
_chemical_formula_sum   'Zr1 Cu2 Ag1'
_cell_volume   64.41
_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  0.51  0.0  0.51  1.0
  Cu  Cu1  1  0.08  0.0  0.08  1.0
  Cu  Cu2  1  0.79  0.12  0.79  1.0
  Ag  Ag3  1  0.97  0.12  0.97  1.0

Zr Cu Cu Ag