data_YTiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   145.76
_cell_angle_beta   130.43
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiAg2
_chemical_formula_sum   'Y1 Ti1 Ag2'
_cell_volume   84.91
_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
  Y  Y3  1  0.0  0.45  0.56  1.0
  Ti  Ti2  1  0.0  0.0  0.86  1.0
  Ag  Ag0  1  0.0  0.0  0.16  1.0
  Ag  Ag1  1  0.72  0.0  0.47  1.0

data_YTiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.91
_cell_length_c   5.85
_cell_angle_alpha   114.78
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiAg2
_chemical_formula_sum   'Y1 Ti1 Ag2'
_cell_volume   84.91
_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
  Y  Y0  1  0.55  0.11  0.11  1.0
  Ti  Ti1  1  0.0  0.86  0.86  1.0
  Ag  Ag2  1  0.0  0.16  0.16  1.0
  Ag  Ag3  1  0.0  0.47  0.75  1.0

Y Ti Ag Ag