data_Y3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ag
_chemical_formula_sum   'Y6 Ag2'
_cell_volume   222.63
_cell_formula_units_Z   2
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  0.0  0.07  0.03  1.0
  Y  Y3  1  0.46  0.92  0.34  1.0
  Y  Y4  1  0.66  0.95  0.03  1.0
  Y  Y5  1  0.79  0.04  0.34  1.0
  Y  Y6  1  0.34  0.95  0.03  1.0
  Y  Y7  1  0.12  0.04  0.34  1.0
  Ag  Ag0  1  0.46  1.0  0.03  1.0
  Ag  Ag1  1  0.0  0.99  0.34  1.0

data_Y3Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.38
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Ag
_chemical_formula_sum   'Y6 Ag2'
_cell_volume   222.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.23  0.42  1.0
  Y  Y1  2  0.16  0.57  0.54  1.0
  Y  Y2  2  0.16  0.89  0.54  1.0
  Ag  Ag3  2  0.16  0.77  0.5  1.0

Y Y Y Y Y Y Ag Ag
Y Y Y Y Y Y Ag Ag 0 3 - o o 0 2 - - o 0 5 o o o 0 7 o - o 1 6 o o o 1 4 o o o 1 2 o o o 1 3 o + o 2 6 o o o 2 3 o + o 3 7 + - o 4 6 o o o 5 7 o - o 