data_FeAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgSb2
_chemical_formula_sum   'Fe1 Ag1 Sb2'
_cell_volume   82.82
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.45  0.0  0.0  1.0
  Sb  Sb2  1  0.73  0.78  0.69  1.0
  Sb  Sb3  1  0.73  0.22  0.69  1.0

data_FeAgSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FeAgSb2
_chemical_formula_sum   'Fe1 Ag1 Sb2'
_cell_volume   82.85
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.45  1.0
  Sb  Sb2  2  0.69  0.22  0.73  1.0

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