data_BeAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg3
_chemical_formula_sum   'Be2 Ag6'
_cell_volume   126.78
_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
  Be  Be6  1  0.85  0.64  0.39  1.0
  Be  Be7  1  0.0  0.29  0.13  1.0
  Ag  Ag0  1  0.38  0.08  0.39  1.0
  Ag  Ag1  1  0.62  0.08  0.39  1.0
  Ag  Ag2  1  0.0  0.69  0.39  1.0
  Ag  Ag3  1  0.46  0.85  0.13  1.0
  Ag  Ag4  1  0.23  0.85  0.13  1.0
  Ag  Ag5  1  0.85  0.24  0.13  1.0

data_BeAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.52
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeAg3
_chemical_formula_sum   'Be2 Ag6'
_cell_volume   126.78
_cell_formula_units_Z   2
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
  Be  Be0  2  0.13  0.42  0.18  1.0
  Ag  Ag1  2  0.13  0.19  0.62  1.0
  Ag  Ag2  2  0.13  0.58  0.23  1.0
  Ag  Ag3  2  0.13  0.96  0.62  1.0

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