data_BeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2
_chemical_formula_sum   'Be4 Ag8'
_cell_volume   225.36
_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
  Be  Be8  1  0.68  0.55  0.3  1.0
  Be  Be9  1  0.0  0.09  0.83  1.0
  Be  Be10  1  0.0  0.09  0.77  1.0
  Be  Be11  1  0.68  0.55  0.24  1.0
  Ag  Ag0  1  0.0  0.0  0.54  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.32  0.85  0.8  1.0
  Ag  Ag3  1  0.36  0.78  0.27  1.0
  Ag  Ag4  1  0.68  0.85  0.8  1.0
  Ag  Ag5  1  0.0  0.57  0.8  1.0
  Ag  Ag6  1  0.68  0.07  0.27  1.0
  Ag  Ag7  1  1.0  0.78  0.27  1.0

data_BeAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2
_chemical_formula_sum   'Be4 Ag8'
_cell_volume   225.36
_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
  Be  Be0  1  0.0  0.09  0.77  1.0
  Be  Be1  1  0.0  0.09  0.83  1.0
  Be  Be2  1  0.68  0.55  0.24  1.0
  Be  Be3  1  0.68  0.55  0.3  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0
  Ag  Ag5  1  0.0  0.0  0.54  1.0
  Ag  Ag6  1  0.0  0.57  0.8  1.0
  Ag  Ag7  1  0.32  0.85  0.8  1.0
  Ag  Ag8  1  0.36  0.78  0.27  1.0
  Ag  Ag9  1  0.68  0.07  0.27  1.0
  Ag  Ag10  1  0.68  0.85  0.8  1.0
  Ag  Ag11  1  1.0  0.78  0.27  1.0

Be Be Be Be Ag Ag Ag Ag Ag Ag Ag Ag
Be Be Be Be Ag Ag Ag Ag Ag Ag Ag Ag 0 3 o o o 0 11 o o o 1 2 o o o 1 4 o o o 1 5 o o + 1 8 - - o 2 4 o o o 2 8 - - o 3 11 o o o 4 8 - - o 4 11 - - o 6 9 o o o 6 8 o o o 7 11 - o o 7 10 o + o 