data_Zn2CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   144.45
_cell_angle_beta   130.05
_cell_angle_gamma   62.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CuAg
_chemical_formula_sum   'Zn2 Cu1 Ag1'
_cell_volume   58.9
_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
  Zn  Zn2  1  0.0  0.16  0.3  1.0
  Zn  Zn3  1  0.0  0.0  0.13  1.0
  Cu  Cu1  1  0.0  0.0  0.63  1.0
  Ag  Ag0  1  0.0  0.16  0.03  1.0

data_Zn2CuAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.32
_cell_length_c   5.11
_cell_angle_alpha   114.98
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CuAg
_chemical_formula_sum   'Zn2 Cu1 Ag1'
_cell_volume   58.9
_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
  Zn  Zn0  1  0.0  0.13  0.13  1.0
  Zn  Zn1  1  0.84  0.14  0.14  1.0
  Cu  Cu2  1  0.0  0.63  0.63  1.0
  Ag  Ag3  1  0.84  0.87  0.87  1.0

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