data_Ag5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag5Bi
_chemical_formula_sum   'Ag5 Bi1'
_cell_volume   119.35
_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
  Ag  Ag0  1  0.14  0.25  0.0  1.0
  Ag  Ag1  1  0.14  0.23  0.15  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.14  0.77  0.15  1.0
  Ag  Ag4  1  0.14  0.75  0.0  1.0
  Bi  Bi5  1  0.14  0.0  0.15  1.0

data_Ag5Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.3
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag5Bi
_chemical_formula_sum   'Ag5 Bi1'
_cell_volume   119.35
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.23  0.85  0.09  1.0
  Ag  Ag2  1  0.25  -0.0  0.1  1.0
  Ag  Ag3  1  0.75  -0.0  0.61  1.0
  Ag  Ag4  1  0.77  0.85  0.62  1.0
  Bi  Bi5  1  0.0  0.85  0.86  1.0

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