data_Cr3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   152.03
_cell_angle_beta   152.03
_cell_angle_gamma   39.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ag
_chemical_formula_sum   'Cr6 Ag2'
_cell_volume   104.26
_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
  Cr  Cr2  1  0.0  0.89  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.76  1.0
  Cr  Cr4  1  0.0  0.0  0.9  1.0
  Cr  Cr5  1  0.0  0.89  0.67  1.0
  Cr  Cr6  1  0.89  0.0  0.67  1.0
  Cr  Cr7  1  0.89  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.49  1.0
  Ag  Ag1  1  0.0  0.0  0.17  1.0

data_Cr3Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   109.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr3Ag
_chemical_formula_sum   'Cr12 Ag4'
_cell_volume   208.51
_cell_formula_units_Z   4
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
  Cr  Cr0  4  0.44  0.44  0.89  1.0
  Cr  Cr1  4  0.44  0.56  0.22  1.0
  Cr  Cr2  2  0.0  0.0  0.1  1.0
  Cr  Cr3  2  0.0  0.0  0.24  1.0
  Ag  Ag4  2  0.0  0.0  0.51  1.0
  Ag  Ag5  2  0.0  0.0  0.83  1.0

Cr Cr Cr Cr Cr Cr Ag Ag
Cr Cr Cr Cr Cr Cr Ag Ag 0 7 o + o 0 5 - + o 1 4 - o o 1 3 o - o 1 2 o o o 1 6 o o o 2 4 - o o 2 3 o - o 3 6 o + o 4 6 + o o 5 7 + o o 6 7 o o o 