data_BeAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   13.77
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg3
_chemical_formula_sum   'Be6 Ag18'
_cell_volume   382.23
_cell_formula_units_Z   6
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
  Be  Be18  1  0.83  0.88  0.84  1.0
  Be  Be19  1  0.83  0.3  0.27  1.0
  Be  Be20  1  0.83  0.46  0.27  1.0
  Be  Be21  1  0.0  0.0  0.06  1.0
  Be  Be22  1  0.0  0.19  0.63  1.0
  Be  Be23  1  0.0  0.58  0.63  1.0
  Ag  Ag0  1  0.41  0.29  0.82  1.0
  Ag  Ag1  1  0.41  0.48  0.82  1.0
  Ag  Ag2  1  0.42  0.88  0.44  1.0
  Ag  Ag3  1  0.41  0.0  0.46  1.0
  Ag  Ag4  1  0.42  0.17  0.09  1.0
  Ag  Ag5  1  0.42  0.6  0.09  1.0
  Ag  Ag6  1  0.83  0.0  0.82  1.0
  Ag  Ag7  1  0.83  0.19  0.63  1.0
  Ag  Ag8  1  0.83  0.58  0.63  1.0
  Ag  Ag9  1  0.25  0.29  0.82  1.0
  Ag  Ag10  1  0.25  0.48  0.82  1.0
  Ag  Ag11  1  0.25  0.88  0.44  1.0
  Ag  Ag12  1  0.25  0.0  0.46  1.0
  Ag  Ag13  1  0.25  0.17  0.09  1.0
  Ag  Ag14  1  0.25  0.6  0.09  1.0
  Ag  Ag15  1  0.0  0.88  0.08  1.0
  Ag  Ag16  1  0.0  0.3  0.27  1.0
  Ag  Ag17  1  0.0  0.46  0.27  1.0

data_BeAg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   5.67
_cell_length_c   13.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg3
_chemical_formula_sum   'Be6 Ag18'
_cell_volume   382.23
_cell_formula_units_Z   6
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
  Be  Be0  1  0.06  0.0  0.0  1.0
  Be  Be1  1  0.27  0.83  0.3  1.0
  Be  Be2  1  0.27  0.83  0.46  1.0
  Be  Be3  1  0.63  0.0  0.19  1.0
  Be  Be4  1  0.63  0.0  0.58  1.0
  Be  Be5  1  0.84  0.83  0.88  1.0
  Ag  Ag6  1  0.08  0.0  0.88  1.0
  Ag  Ag7  1  0.09  0.25  0.17  1.0
  Ag  Ag8  1  0.09  0.25  0.6  1.0
  Ag  Ag9  1  0.09  0.42  0.17  1.0
  Ag  Ag10  1  0.09  0.42  0.6  1.0
  Ag  Ag11  1  0.27  0.0  0.3  1.0
  Ag  Ag12  1  0.27  0.0  0.46  1.0
  Ag  Ag13  1  0.44  0.25  0.88  1.0
  Ag  Ag14  1  0.44  0.42  0.88  1.0
  Ag  Ag15  1  0.46  0.25  0.0  1.0
  Ag  Ag16  1  0.46  0.41  0.0  1.0
  Ag  Ag17  1  0.63  0.83  0.19  1.0
  Ag  Ag18  1  0.63  0.83  0.58  1.0
  Ag  Ag19  1  0.82  0.25  0.29  1.0
  Ag  Ag20  1  0.82  0.25  0.48  1.0
  Ag  Ag21  1  0.82  0.41  0.29  1.0
  Ag  Ag22  1  0.82  0.41  0.48  1.0
  Ag  Ag23  1  0.82  0.83  0.0  1.0

Be Be Be Be Be Be Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag
Be Be Be Be Be Be Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag 0 12 o + o 0 21 + o + 1 22 + o o 2 23 + o o 3 12 - o - 3 21 o - o 4 13 - o o 5 14 - o o 6 15 o o o 7 16 o o o 8 17 o o o 9 18 o o o 10 19 o o o 11 20 o o o 