data_Ca2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   149.57
_cell_angle_beta   149.57
_cell_angle_gamma   43.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ag
_chemical_formula_sum   'Ca2 Ag1'
_cell_volume   92.52
_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  Ca1  1  0.0  0.0  0.44  1.0
  Ca  Ca2  1  0.0  0.0  0.79  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ca2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   111.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2Ag
_chemical_formula_sum   'Ca4 Ag2'
_cell_volume   185.05
_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  0.21  1.0
  Ca  Ca1  2  0.0  0.0  0.56  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0

Ca Ca Ag