data_CaMgAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgAg2
_chemical_formula_sum   'Ca1 Mg1 Ag2'
_cell_volume   88.68
_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
  Ca  Ca2  1  0.0  0.0  0.54  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.77  0.77  0.51  1.0
  Ag  Ag1  1  0.77  0.77  0.57  1.0

data_CaMgAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMgAg2
_chemical_formula_sum   'Ca2 Mg2 Ag4'
_cell_volume   177.37
_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
  Ca  Ca0  2  0.0  0.0  0.54  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.27  0.5  0.51  1.0
  Ag  Ag3  2  0.27  0.5  0.57  1.0

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