data_Ca2Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79
_cell_length_b   5.9
_cell_length_c   9.73
_cell_angle_alpha   62.95
_cell_angle_beta   36.71
_cell_angle_gamma   80.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ag3
_chemical_formula_sum   'Ca4 Ag6'
_cell_volume   249.33
_cell_formula_units_Z   2
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  Ca6  1  0.33  0.12  0.61  1.0
  Ca  Ca7  1  0.89  0.43  0.61  1.0
  Ca  Ca8  1  0.88  0.57  0.09  1.0
  Ca  Ca9  1  0.44  0.26  0.09  1.0
  Ag  Ag0  1  0.8  0.35  0.16  1.0
  Ag  Ag1  1  0.42  0.2  0.16  1.0
  Ag  Ag2  1  0.35  0.34  0.63  1.0
  Ag  Ag3  1  0.97  0.49  0.63  1.0
  Ag  Ag4  1  0.11  0.28  0.25  1.0
  Ag  Ag5  1  0.55  0.14  0.73  1.0

data_Ca2Ag3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   8.79
_cell_angle_alpha   99.66
_cell_angle_beta   99.66
_cell_angle_gamma   119.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ag3
_chemical_formula_sum   'Ca4 Ag6'
_cell_volume   249.33
_cell_formula_units_Z   2
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  Ca0  1  0.09  0.43  0.97  1.0
  Ca  Ca1  1  0.09  0.74  0.53  1.0
  Ca  Ca2  1  0.61  0.57  0.5  1.0
  Ca  Ca3  1  0.61  0.88  0.94  1.0
  Ag  Ag4  1  0.16  0.65  0.96  1.0
  Ag  Ag5  1  0.16  0.8  0.58  1.0
  Ag  Ag6  1  0.25  0.72  0.36  1.0
  Ag  Ag7  1  0.63  0.51  0.6  1.0
  Ag  Ag8  1  0.63  0.66  0.98  1.0
  Ag  Ag9  1  0.73  0.86  0.28  1.0

Ca Ca Ca Ca Ag Ag Ag Ag Ag Ag
Ca Ca Ca Ca Ag Ag Ag Ag Ag Ag 0 6 o o o 0 9 o o o 1 7 o o o 1 9 o o o 2 4 o o o 3 5 o o o 3 8 o o o 3 9 o o - 5 8 o o o 6 9 o o o 8 9 - o o 