data_Y2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   39.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NiAg
_chemical_formula_sum   'Y2 Ni1 Ag1'
_cell_volume   89.75
_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  Y2  1  0.27  0.0  0.34  1.0
  Y  Y3  1  0.0  0.0  0.38  1.0
  Ni  Ni1  1  0.0  0.0  0.43  1.0
  Ag  Ag0  1  0.27  0.0  0.79  1.0

data_Y2NiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.55
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NiAg
_chemical_formula_sum   'Y2 Ni1 Ag1'
_cell_volume   89.75
_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  0.62  0.0  0.62  1.0
  Y  Y1  1  0.66  0.27  0.66  1.0
  Ni  Ni2  1  0.57  0.0  0.57  1.0
  Ag  Ag3  1  0.21  0.27  0.21  1.0

Y Y Ni Ag
Y Y Ni Ag 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 