data_La2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   32.31
_cell_angle_beta   32.31
_cell_angle_gamma   32.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgSb
_chemical_formula_sum   'La2 Ag1 Sb1'
_cell_volume   134.34
_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
  La  La1  1  0.0  0.0  0.71  1.0
  La  La2  1  0.0  0.0  0.26  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.49  1.0

data_La2AgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.8
_cell_length_b   4.5
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   108.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2AgSb
_chemical_formula_sum   'La4 Ag2 Sb2'
_cell_volume   268.68
_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
  La  La0  2  -0.0  0.0  0.74  1.0
  La  La1  2  -0.0  0.0  0.29  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  -0.0  0.0  0.51  1.0

La La Ag Sb
La La Ag Sb 0 3 o o o 0 2 o o + 1 2 o o o 1 3 o o o 