data_CuAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   6.16
_cell_angle_alpha   102.65
_cell_angle_beta   102.65
_cell_angle_gamma   38.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Cl
_chemical_formula_sum   'Cu1 Ag2 Cl1'
_cell_volume   84.46
_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
  Cu  Cu3  1  0.82  0.0  0.09  1.0
  Ag  Ag0  1  0.33  0.0  0.19  1.0
  Ag  Ag1  1  0.37  0.0  0.9  1.0
  Cl  Cl2  1  0.9  0.0  0.81  1.0

data_CuAg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.78
_cell_length_c   6.16
_cell_angle_alpha   102.65
_cell_angle_beta   90.0
_cell_angle_gamma   109.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Cl
_chemical_formula_sum   'Cu1 Ag2 Cl1'
_cell_volume   84.46
_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
  Cu  Cu0  1  0.0  0.18  0.91  1.0
  Ag  Ag1  1  0.0  0.63  0.1  1.0
  Ag  Ag2  1  0.0  0.67  0.81  1.0
  Cl  Cl3  1  0.0  0.1  0.19  1.0

Cu Ag Ag Cl
Cu Ag Ag Cl 0 3 o o - 0 2 o o - 1 2 o o - 2 3 - o o 