data_La2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.06
_cell_length_b   10.06
_cell_length_c   10.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ta
_chemical_formula_sum   'La16 Ta8'
_cell_volume   720.7
_cell_formula_units_Z   8
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  0.78  0.34  0.34  1.0
  La  La1  1  0.34  0.78  0.34  1.0
  La  La2  1  0.34  0.34  0.78  1.0
  La  La3  1  0.78  0.78  0.78  1.0
  La  La4  1  0.12  0.12  0.96  1.0
  La  La5  1  0.12  0.96  0.12  1.0
  La  La6  1  0.96  0.12  0.12  1.0
  La  La7  1  0.28  0.12  0.12  1.0
  La  La8  1  0.12  0.28  0.12  1.0
  La  La9  1  0.12  0.12  0.28  1.0
  La  La10  1  0.67  0.67  0.84  1.0
  La  La11  1  0.67  0.84  0.67  1.0
  La  La12  1  0.84  0.67  0.67  1.0
  La  La13  1  0.51  0.67  0.67  1.0
  La  La14  1  0.67  0.51  0.67  1.0
  La  La15  1  0.67  0.67  0.51  1.0
  Ta  Ta16  1  0.21  0.21  0.21  1.0
  Ta  Ta17  1  0.14  0.14  0.21  1.0
  Ta  Ta18  1  0.14  0.21  0.14  1.0
  Ta  Ta19  1  0.21  0.14  0.14  1.0
  Ta  Ta20  1  0.58  0.58  0.58  1.0
  Ta  Ta21  1  0.54  0.54  0.58  1.0
  Ta  Ta22  1  0.54  0.58  0.54  1.0
  Ta  Ta23  1  0.58  0.54  0.54  1.0

data_La2Ta
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.06
_cell_length_b   10.06
_cell_length_c   24.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2Ta
_chemical_formula_sum   'La48 Ta24'
_cell_volume   2162.09
_cell_formula_units_Z   24
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  La  La0  9  0.04  0.52  0.18  1.0
  La  La1  9  0.05  0.11  0.27  1.0
  La  La2  9  0.05  0.11  0.83  1.0
  La  La3  9  0.11  0.05  0.38  1.0
  La  La4  9  0.11  0.05  0.94  1.0
  La  La5  3  0.0  0.0  0.22  1.0
  Ta  Ta6  9  0.01  0.99  0.45  1.0
  Ta  Ta7  9  0.02  0.05  0.84  1.0
  Ta  Ta8  3  0.0  0.0  0.42  1.0
  Ta  Ta9  3  0.0  0.0  0.79  1.0

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