data_YFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   18.62
_cell_angle_beta   18.62
_cell_angle_gamma   18.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Ag
_chemical_formula_sum   'Y1 Fe2 Ag1'
_cell_volume   71.69
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.74  1.0
  Fe  Fe2  1  0.0  0.0  0.67  1.0
  Ag  Ag0  1  0.0  0.0  0.71  1.0

data_YFe2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFe2Ag
_chemical_formula_sum   'Y2 Fe4 Ag2'
_cell_volume   143.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.26  1.0
  Fe  Fe2  2  0.0  0.0  0.33  1.0
  Ag  Ag3  2  0.0  0.0  0.29  1.0

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