data_YAlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.99
_cell_angle_alpha   113.88
_cell_angle_beta   113.88
_cell_angle_gamma   53.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlAg2
_chemical_formula_sum   'Y1 Al1 Ag2'
_cell_volume   83.42
_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  0.41  0.0  0.27  1.0
  Al  Al2  1  0.17  0.0  0.84  1.0
  Ag  Ag0  1  0.01  0.0  0.2  1.0
  Ag  Ag1  1  0.98  0.0  0.36  1.0

data_YAlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.84
_cell_length_c   4.99
_cell_angle_alpha   113.88
_cell_angle_beta   90.0
_cell_angle_gamma   116.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlAg2
_chemical_formula_sum   'Y1 Al1 Ag2'
_cell_volume   83.42
_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  0.0  0.59  0.73  1.0
  Al  Al1  1  0.0  0.83  0.16  1.0
  Ag  Ag2  1  0.0  0.02  0.64  1.0
  Ag  Ag3  1  0.0  0.99  0.8  1.0

Y Al Ag Ag
Y Al Ag Ag 0 1 o o - 0 2 o o o 1 3 - o o 1 2 o o + 2 3 - o o 