data_AgSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   96.77
_cell_angle_beta   96.77
_cell_angle_gamma   139.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb4
_chemical_formula_sum   'Ag1 Sb4'
_cell_volume   135.64
_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
  Sb  Sb1  1  0.0  0.15  0.09  1.0
  Sb  Sb2  1  0.88  0.03  0.0  1.0
  Sb  Sb3  1  0.03  0.88  0.0  1.0
  Sb  Sb4  1  0.15  0.0  0.09  1.0

data_AgSb4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   11.41
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   110.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgSb4
_chemical_formula_sum   'Ag2 Sb8'
_cell_volume   271.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.04  0.08  0.0  1.0
  Sb  Sb2  4  0.42  0.42  0.91  1.0

Ag Sb Sb Sb Sb
Ag Sb Sb Sb Sb 0 1 o o o 0 2 - o o 0 3 o - o 0 4 o o o 1 2 - o o 3 4 o + o 