data_MgSi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Ag
_chemical_formula_sum   'Mg1 Si2 Ag1'
_cell_volume   68.58
_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  0.0  0.0  0.96  1.0
  Si  Si2  1  0.84  0.0  0.89  1.0
  Si  Si3  1  0.0  0.0  0.2  1.0
  Ag  Ag0  1  0.84  0.0  0.08  1.0

data_MgSi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Ag
_chemical_formula_sum   'Mg1 Si2 Ag1'
_cell_volume   68.58
_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  0.0  0.96  1.0
  Si  Si1  1  0.0  0.0  0.2  1.0
  Si  Si2  1  0.84  0.0  0.89  1.0
  Ag  Ag3  1  0.84  0.0  0.08  1.0

Mg Si Si Ag
Mg Si Si Ag 0 1 - o o 0 3 - o + 2 3 - o o 