data_BeAg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg5
_chemical_formula_sum   'Be1 Ag5'
_cell_volume   99.71
_cell_formula_units_Z   1
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  Be5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.02  0.91  0.04  1.0
  Ag  Ag1  1  0.02  0.08  0.0  1.0
  Ag  Ag2  1  0.02  0.0  0.04  1.0
  Ag  Ag3  1  0.02  0.92  0.0  1.0
  Ag  Ag4  1  0.02  0.09  0.04  1.0

data_BeAg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.09
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg5
_chemical_formula_sum   'Be1 Ag5'
_cell_volume   99.71
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.96  0.98  1.0
  Ag  Ag2  1  0.08  0.0  0.06  1.0
  Ag  Ag3  1  0.09  0.96  0.07  1.0
  Ag  Ag4  1  0.91  0.96  0.89  1.0
  Ag  Ag5  1  0.92  0.0  0.9  1.0

Be Ag Ag Ag Ag Ag
Be Ag Ag Ag Ag Ag 0 3 o o o 1 4 o o o 2 5 o o o 