data_Ag2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Sb
_chemical_formula_sum   'Ag8 Sb4'
_cell_volume   258.1
_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
  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  0.41  0.12  0.81  1.0
  Ag  Ag3  1  0.45  0.84  0.27  1.0
  Ag  Ag4  1  0.59  0.12  0.81  1.0
  Ag  Ag5  1  0.0  0.67  0.81  1.0
  Ag  Ag6  1  0.86  0.29  0.27  1.0
  Ag  Ag7  1  0.28  0.84  0.27  1.0
  Sb  Sb8  1  0.86  0.65  0.88  1.0
  Sb  Sb9  1  0.0  0.31  0.34  1.0
  Sb  Sb10  1  0.0  0.31  0.2  1.0
  Sb  Sb11  1  0.86  0.65  0.75  1.0

data_Ag2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Sb
_chemical_formula_sum   'Ag8 Sb4'
_cell_volume   258.1
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.54  1.0
  Ag  Ag2  1  0.0  0.67  0.81  1.0
  Ag  Ag3  1  0.28  0.84  0.27  1.0
  Ag  Ag4  1  0.41  0.12  0.81  1.0
  Ag  Ag5  1  0.45  0.84  0.27  1.0
  Ag  Ag6  1  0.59  0.12  0.81  1.0
  Ag  Ag7  1  0.86  0.29  0.27  1.0
  Sb  Sb8  1  0.0  0.31  0.2  1.0
  Sb  Sb9  1  0.0  0.31  0.34  1.0
  Sb  Sb10  1  0.86  0.65  0.75  1.0
  Sb  Sb11  1  0.86  0.65  0.88  1.0

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