data_Sc2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   32.47
_cell_angle_beta   32.47
_cell_angle_gamma   32.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgSb
_chemical_formula_sum   'Sc2 Ag1 Sb1'
_cell_volume   96.92
_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
  Sc  Sc2  1  0.0  0.0  0.41  1.0
  Sc  Sc3  1  0.0  0.0  0.12  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.27  1.0

data_Sc2AgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   4.04
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AgSb
_chemical_formula_sum   'Sc4 Ag2 Sb2'
_cell_volume   193.84
_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
  Sc  Sc0  2  0.0  0.0  0.59  1.0
  Sc  Sc1  2  0.0  0.0  0.88  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.73  1.0

Sc Sc Ag Sb
Sc Sc Ag Sb 0 3 o o o 1 2 o o o 1 3 o o o 