data_Mg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ag
_chemical_formula_sum   'Mg2 Ag1'
_cell_volume   60.74
_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
  Mg  Mg1  1  0.56  0.9  0.3  1.0
  Mg  Mg2  1  0.0  0.8  0.91  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Mg2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ag
_chemical_formula_sum   'Mg2 Ag1'
_cell_volume   60.74
_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
  Mg  Mg0  1  0.0  0.8  0.91  1.0
  Mg  Mg1  1  0.56  0.9  0.3  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0

Mg Mg Ag
Mg Mg Ag 0 2 o o o 0 2 o + o 0 2 + + o 0 1 o o - 0 1 + o - 0 0 + + o 0 0 o + o 0 0 + o o 1 2 o + + 