data_TiZnAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.11
_cell_angle_alpha   97.22
_cell_angle_beta   97.22
_cell_angle_gamma   33.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnAg2
_chemical_formula_sum   'Ti1 Zn1 Ag2'
_cell_volume   66.8
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.37  0.0  0.53  1.0
  Ag  Ag0  1  0.93  0.0  0.27  1.0
  Ag  Ag1  1  0.82  0.0  0.8  1.0

data_TiZnAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.91
_cell_length_c   5.11
_cell_angle_alpha   97.22
_cell_angle_beta   90.0
_cell_angle_gamma   106.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnAg2
_chemical_formula_sum   'Ti1 Zn1 Ag2'
_cell_volume   66.8
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.63  0.47  1.0
  Ag  Ag2  1  0.0  0.07  0.73  1.0
  Ag  Ag3  1  0.0  0.18  0.2  1.0

Ti Zn Ag Ag