data_Mg3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.92
_cell_angle_alpha   113.84
_cell_angle_beta   113.84
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ag
_chemical_formula_sum   'Mg3 Ag1'
_cell_volume   82.22
_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  0.93  0.0  0.22  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.99  0.0  0.24  1.0
  Ag  Ag0  1  0.46  0.0  0.23  1.0

data_Mg3Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.92
_cell_length_c   5.75
_cell_angle_alpha   113.84
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ag
_chemical_formula_sum   'Mg3 Ag1'
_cell_volume   82.22
_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  0.0  1.0
  Mg  Mg1  1  0.0  0.22  0.93  1.0
  Mg  Mg2  1  0.0  0.24  0.99  1.0
  Ag  Ag3  1  0.0  0.23  0.46  1.0

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