data_LaTiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   33.11
_cell_angle_beta   33.11
_cell_angle_gamma   33.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiSb2
_chemical_formula_sum   'La1 Ti1 Sb2'
_cell_volume   110.56
_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  La0  1  0.0  0.0  0.58  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.56  1.0
  Sb  Sb2  1  0.0  0.0  0.59  1.0

data_LaTiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   4.26
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTiSb2
_chemical_formula_sum   'La2 Ti2 Sb4'
_cell_volume   221.12
_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  0.42  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.0  0.0  0.41  1.0
  Sb  Sb3  2  0.0  0.0  0.44  1.0

La Ti Sb Sb