data_CrAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   9.5
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg3
_chemical_formula_sum   'Cr4 Ag12'
_cell_volume   282.3
_cell_formula_units_Z   4
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
  Cr  Cr12  1  0.38  0.12  0.56  1.0
  Cr  Cr13  1  0.18  0.37  0.66  1.0
  Cr  Cr14  1  0.94  0.12  0.15  1.0
  Cr  Cr15  1  0.74  0.37  0.24  1.0
  Ag  Ag0  1  0.73  0.37  0.14  1.0
  Ag  Ag1  1  0.28  0.01  0.15  1.0
  Ag  Ag2  1  0.28  0.74  0.15  1.0
  Ag  Ag3  1  0.28  0.76  0.05  1.0
  Ag  Ag4  1  0.28  0.49  0.05  1.0
  Ag  Ag5  1  0.95  0.12  0.23  1.0
  Ag  Ag6  1  0.17  0.37  0.57  1.0
  Ag  Ag7  1  0.84  0.01  0.75  1.0
  Ag  Ag8  1  0.84  0.74  0.75  1.0
  Ag  Ag9  1  0.84  0.76  0.66  1.0
  Ag  Ag10  1  0.84  0.49  0.66  1.0
  Ag  Ag11  1  0.39  0.12  0.67  1.0

data_CrAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.12
_cell_length_b   5.81
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrAg3
_chemical_formula_sum   'Cr4 Ag12'
_cell_volume   282.3
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr0  2  0.18  0.34  0.63  1.0
  Cr  Cr1  2  0.38  0.24  0.37  1.0
  Ag  Ag2  2  0.17  0.23  0.63  1.0
  Ag  Ag3  2  0.28  0.85  0.26  1.0
  Ag  Ag4  2  0.28  0.85  0.99  1.0
  Ag  Ag5  2  0.28  0.75  0.01  1.0
  Ag  Ag6  2  0.28  0.75  0.74  1.0
  Ag  Ag7  2  0.39  0.33  0.37  1.0

Cr Cr Cr Cr Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag