data_YMgAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.13
_cell_angle_alpha   104.22
_cell_angle_beta   104.22
_cell_angle_gamma   37.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAg2
_chemical_formula_sum   'Y1 Mg1 Ag2'
_cell_volume   88.27
_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  0.3  0.0  0.06  1.0
  Mg  Mg2  1  0.51  0.0  0.78  1.0
  Ag  Ag0  1  0.13  0.0  0.03  1.0
  Ag  Ag1  1  0.63  0.0  0.56  1.0

data_YMgAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.13
_cell_length_c   5.4
_cell_angle_alpha   104.22
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAg2
_chemical_formula_sum   'Y1 Mg1 Ag2'
_cell_volume   88.27
_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  0.06  0.3  1.0
  Mg  Mg1  1  0.0  0.78  0.51  1.0
  Ag  Ag2  1  0.0  0.03  0.13  1.0
  Ag  Ag3  1  0.0  0.56  0.63  1.0

Y Mg Ag Ag
Y Mg Ag Ag 0 2 o o o 1 3 o o o 