data_MgAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg2Sb
_chemical_formula_sum   'Mg1 Ag2 Sb1'
_cell_volume   83.86
_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  Mg2  1  0.0  0.0  0.73  1.0
  Ag  Ag0  1  0.0  0.0  0.21  1.0
  Ag  Ag1  1  0.62  0.62  0.03  1.0
  Sb  Sb3  1  0.62  0.62  0.04  1.0

data_MgAg2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAg2Sb
_chemical_formula_sum   'Mg2 Ag4 Sb2'
_cell_volume   167.72
_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  0.73  1.0
  Ag  Ag1  2  0.0  0.0  0.21  1.0
  Ag  Ag2  2  0.12  0.5  0.03  1.0
  Sb  Sb3  2  0.12  0.5  0.04  1.0

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