data_AgSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   135.06
_cell_angle_beta   135.06
_cell_angle_gamma   65.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb3
_chemical_formula_sum   'Ag1 Sb3'
_cell_volume   100.72
_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  0.25  0.48  1.0
  Sb  Sb2  1  0.25  0.0  0.48  1.0
  Sb  Sb3  1  0.0  0.0  0.96  1.0

data_AgSb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   122.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgSb3
_chemical_formula_sum   'Ag2 Sb6'
_cell_volume   201.43
_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  0.15  0.37  0.77  1.0
  Sb  Sb2  2  0.04  0.0  0.04  1.0

Ag Sb Sb Sb