data_LaSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   11.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb3
_chemical_formula_sum   'La4 Sb12'
_cell_volume   456.21
_cell_formula_units_Z   4
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  0.84  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.36  0.94  0.76  1.0
  La  La3  1  0.0  0.88  0.92  1.0
  Sb  Sb4  1  0.32  0.91  0.84  1.0
  Sb  Sb5  1  0.32  0.91  0.0  1.0
  Sb  Sb6  1  0.68  0.91  0.84  1.0
  Sb  Sb7  1  0.36  0.0  0.84  1.0
  Sb  Sb8  1  0.36  0.0  0.0  1.0
  Sb  Sb9  1  0.68  0.91  0.0  1.0
  Sb  Sb10  1  0.67  0.84  0.76  1.0
  Sb  Sb11  1  0.68  0.97  0.92  1.0
  Sb  Sb12  1  0.33  0.84  0.76  1.0
  Sb  Sb13  1  0.0  0.95  0.76  1.0
  Sb  Sb14  1  0.36  0.87  0.92  1.0
  Sb  Sb15  1  0.03  0.97  0.92  1.0

data_LaSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   11.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb3
_chemical_formula_sum   'La4 Sb12'
_cell_volume   456.21
_cell_formula_units_Z   4
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  0.88  0.92  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.0  0.0  0.84  1.0
  La  La3  1  0.36  0.94  0.76  1.0
  Sb  Sb4  1  -0.0  0.95  0.76  1.0
  Sb  Sb5  1  0.03  0.97  0.92  1.0
  Sb  Sb6  1  0.32  0.91  -0.0  1.0
  Sb  Sb7  1  0.32  0.91  0.84  1.0
  Sb  Sb8  1  0.33  0.84  0.76  1.0
  Sb  Sb9  1  0.36  0.87  0.92  1.0
  Sb  Sb10  1  0.36  0.0  -0.0  1.0
  Sb  Sb11  1  0.36  0.0  0.84  1.0
  Sb  Sb12  1  0.67  0.84  0.76  1.0
  Sb  Sb13  1  0.68  0.91  -0.0  1.0
  Sb  Sb14  1  0.68  0.91  0.84  1.0
  Sb  Sb15  1  0.68  0.97  0.92  1.0

La La La La Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb
La La La La Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb 0 13 o - o 0 15 o - o 1 15 o - - 2 12 o o o 3 15 o o o 4 7 o + o 4 14 o o o 5 8 o + o 5 14 o o - 6 11 o o o 6 10 o o o 9 11 o o - 