data_Ta13Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta13Mo
_chemical_formula_sum   'Ta26 Mo2'
_cell_volume   567.61
_cell_formula_units_Z   2
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
  Ta  Ta2  1  0.04  0.96  0.57  1.0
  Ta  Ta3  1  0.11  0.96  0.57  1.0
  Ta  Ta4  1  0.04  0.18  0.57  1.0
  Ta  Ta5  1  0.11  0.18  0.57  1.0
  Ta  Ta6  1  0.57  0.11  0.18  1.0
  Ta  Ta7  1  0.57  0.04  0.18  1.0
  Ta  Ta8  1  0.57  0.11  0.96  1.0
  Ta  Ta9  1  0.57  0.04  0.96  1.0
  Ta  Ta10  1  0.18  0.57  0.04  1.0
  Ta  Ta11  1  0.18  0.57  0.11  1.0
  Ta  Ta12  1  0.96  0.57  0.04  1.0
  Ta  Ta13  1  0.96  0.57  0.11  1.0
  Ta  Ta14  1  0.57  0.75  0.04  1.0
  Ta  Ta15  1  0.57  0.75  0.11  1.0
  Ta  Ta16  1  0.57  0.39  0.04  1.0
  Ta  Ta17  1  0.57  0.39  0.11  1.0
  Ta  Ta18  1  0.75  0.04  0.57  1.0
  Ta  Ta19  1  0.75  0.11  0.57  1.0
  Ta  Ta20  1  0.39  0.04  0.57  1.0
  Ta  Ta21  1  0.39  0.11  0.57  1.0
  Ta  Ta22  1  0.04  0.57  0.75  1.0
  Ta  Ta23  1  0.11  0.57  0.75  1.0
  Ta  Ta24  1  0.04  0.57  0.39  1.0
  Ta  Ta25  1  0.11  0.57  0.39  1.0
  Ta  Ta26  1  0.57  0.57  0.57  1.0
  Ta  Ta27  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.86  0.86  0.86  1.0
  Mo  Mo1  1  0.29  0.29  0.29  1.0

data_Ta13Mo
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   22.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ta13Mo
_chemical_formula_sum   'Ta78 Mo6'
_cell_volume   1702.83
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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
  Ta  Ta0  9  0.02  0.44  0.4  1.0
  Ta  Ta1  9  0.04  0.25  0.21  1.0
  Ta  Ta2  9  0.04  0.43  0.86  1.0
  Ta  Ta3  9  0.05  0.49  0.38  1.0
  Ta  Ta4  9  0.1  0.73  0.33  1.0
  Ta  Ta5  9  0.11  0.75  0.79  1.0
  Ta  Ta6  9  0.12  0.7  0.31  1.0
  Ta  Ta7  9  0.15  0.77  0.81  1.0
  Ta  Ta8  3  0.0  0.0  0.0  1.0
  Ta  Ta9  3  0.0  0.0  0.43  1.0
  Mo  Mo10  3  0.0  0.0  0.14  1.0
  Mo  Mo11  3  0.0  0.0  0.71  1.0

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