data_La5As24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5As24
_chemical_formula_sum   'La5 As24'
_cell_volume   678.27
_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  La24  1  0.31  0.69  0.31  1.0
  La  La25  1  0.69  0.31  0.31  1.0
  La  La26  1  0.31  0.31  0.69  1.0
  La  La27  1  0.22  0.22  0.22  1.0
  La  La28  1  0.0  0.0  0.0  1.0
  As  As0  1  0.04  0.96  0.85  1.0
  As  As1  1  0.96  0.04  0.85  1.0
  As  As2  1  0.04  0.04  0.22  1.0
  As  As3  1  0.49  0.49  0.68  1.0
  As  As4  1  0.04  0.22  0.04  1.0
  As  As5  1  0.49  0.68  0.49  1.0
  As  As6  1  0.96  0.85  0.04  1.0
  As  As7  1  0.04  0.85  0.96  1.0
  As  As8  1  0.85  0.96  0.04  1.0
  As  As9  1  0.85  0.04  0.96  1.0
  As  As10  1  0.68  0.49  0.49  1.0
  As  As11  1  0.22  0.04  0.04  1.0
  As  As12  1  0.76  0.24  0.81  1.0
  As  As13  1  0.24  0.76  0.81  1.0
  As  As14  1  0.29  0.29  0.72  1.0
  As  As15  1  0.24  0.24  0.26  1.0
  As  As16  1  0.29  0.72  0.29  1.0
  As  As17  1  0.24  0.26  0.24  1.0
  As  As18  1  0.24  0.81  0.76  1.0
  As  As19  1  0.76  0.81  0.24  1.0
  As  As20  1  0.81  0.24  0.76  1.0
  As  As21  1  0.81  0.76  0.24  1.0
  As  As22  1  0.26  0.24  0.24  1.0
  As  As23  1  0.72  0.29  0.29  1.0

data_La5As24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.66
_cell_length_b   15.66
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La5As24
_chemical_formula_sum   'La15 As72'
_cell_volume   2034.82
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.21  0.42  0.1  1.0
  La  La1  3  0.0  0.0  0.0  1.0
  La  La2  3  0.0  0.0  0.22  1.0
  As  As3  18  0.01  0.1  0.95  1.0
  As  As4  18  0.15  0.36  0.6  1.0
  As  As5  9  0.01  0.0  0.25  1.0
  As  As6  9  0.12  0.06  0.1  1.0
  As  As7  9  0.13  0.06  0.55  1.0
  As  As8  9  0.19  0.38  0.1  1.0

La La La La La As As As As As As As As As As As As As As As As As As As As As As As As
La La La La La As As As As As As As As As As As As As As As As As As As As As As As As 0 21 o o o 0 10 o o o 1 28 o o o 1 15 o o o 2 19 o o o 2 8 o o o 3 27 o o o 3 22 o o o 3 20 o o o 3 7 o o o 3 9 o o o 3 16 o o o 4 13 - - o 4 9 o o o 4 14 - o - 4 6 - o - 4 12 o - - 4 5 o - - 4 11 - - o 4 16 o o o 4 7 o o o 5 6 - + o 5 12 o o o 5 16 o + + 6 14 o o o 6 9 + o + 7 13 - - o 7 11 - - o 7 20 o o o 9 14 - o - 9 22 o o o 11 13 o o o 11 12 + o - 12 16 o + + 13 14 o + - 16 27 o o o 17 25 o o o 18 23 o o o 20 22 o o o 20 27 o o o 22 27 o o o 24 26 o o o 