data_AgSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   8.31
_cell_length_c   8.31
_cell_angle_alpha   26.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb5
_chemical_formula_sum   'Ag1 Sb5'
_cell_volume   157.48
_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  0.42  1.0
  Sb  Sb1  1  0.56  0.0  0.34  1.0
  Sb  Sb2  1  0.0  0.0  0.23  1.0
  Sb  Sb3  1  0.56  0.0  0.57  1.0
  Sb  Sb4  1  0.0  0.0  0.82  1.0
  Sb  Sb5  1  0.56  0.0  0.74  1.0

data_AgSb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.11
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   103.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb5
_chemical_formula_sum   'Ag1 Sb5'
_cell_volume   157.48
_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  0.58  0.0  0.58  1.0
  Sb  Sb1  1  0.18  0.0  0.18  1.0
  Sb  Sb2  1  0.26  0.56  0.26  1.0
  Sb  Sb3  1  0.43  0.56  0.43  1.0
  Sb  Sb4  1  0.66  0.56  0.66  1.0
  Sb  Sb5  1  0.77  0.0  0.77  1.0

Ag Sb Sb Sb Sb Sb