data_MgZn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Ag
_chemical_formula_sum   'Mg1 Zn2 Ag1'
_cell_volume   67.51
_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  0.52  1.0
  Zn  Zn2  1  0.52  0.52  0.14  1.0
  Zn  Zn3  1  0.0  0.0  0.77  1.0
  Ag  Ag0  1  0.52  0.52  0.57  1.0

data_MgZn2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgZn2Ag
_chemical_formula_sum   'Mg2 Zn4 Ag2'
_cell_volume   135.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.52  1.0
  Zn  Zn1  2  0.0  0.0  0.77  1.0
  Zn  Zn2  2  0.02  0.5  0.14  1.0
  Ag  Ag3  2  0.02  0.5  0.57  1.0

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