data_Ba2ZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   41.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnAg
_chemical_formula_sum   'Ba2 Zn1 Ag1'
_cell_volume   147.37
_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
  Ba  Ba1  1  0.0  0.0  0.28  1.0
  Ba  Ba2  1  0.45  0.0  0.74  1.0
  Zn  Zn3  1  0.0  0.0  0.42  1.0
  Ag  Ag0  1  0.45  0.0  0.93  1.0

data_Ba2ZnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.9
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnAg
_chemical_formula_sum   'Ba2 Zn1 Ag1'
_cell_volume   147.37
_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
  Ba  Ba0  1  0.26  0.45  0.26  1.0
  Ba  Ba1  1  0.72  0.0  0.72  1.0
  Zn  Zn2  1  0.58  0.0  0.58  1.0
  Ag  Ag3  1  0.07  0.45  0.07  1.0

Ba Ba Zn Ag
Ba Ba Zn Ag 0 2 o o o 1 3 o o o 