data_Y2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.24
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnAg
_chemical_formula_sum   'Y2 Mn1 Ag1'
_cell_volume   91.66
_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  0.76  0.12  0.75  1.0
  Y  Y3  1  0.0  0.0  0.78  1.0
  Mn  Mn1  1  0.0  0.0  0.92  1.0
  Ag  Ag0  1  0.76  0.12  0.93  1.0

data_Y2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.24
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnAg
_chemical_formula_sum   'Y2 Mn1 Ag1'
_cell_volume   91.66
_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  0.0  0.78  1.0
  Y  Y1  1  0.76  0.12  0.75  1.0
  Mn  Mn2  1  0.0  0.0  0.92  1.0
  Ag  Ag3  1  0.76  0.12  0.93  1.0

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