data_ReAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   138.8
_cell_angle_beta   138.8
_cell_angle_gamma   59.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2Sb
_chemical_formula_sum   'Re1 Ag2 Sb1'
_cell_volume   74.44
_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
  Re  Re2  1  0.0  0.0  0.84  1.0
  Ag  Ag0  1  0.96  0.0  0.42  1.0
  Ag  Ag1  1  0.0  0.96  0.42  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_ReAg2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   119.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReAg2Sb
_chemical_formula_sum   'Re2 Ag4 Sb2'
_cell_volume   148.89
_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
  Re  Re0  2  0.0  0.0  0.16  1.0
  Ag  Ag1  4  0.48  0.48  0.54  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

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