data_LaTc13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72
_cell_length_b   8.72
_cell_length_c   8.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc13
_chemical_formula_sum   'La2 Tc26'
_cell_volume   469.34
_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
  La  La0  1  0.08  0.08  0.08  1.0
  La  La1  1  0.25  0.25  0.25  1.0
  Tc  Tc2  1  0.66  0.17  0.36  1.0
  Tc  Tc3  1  0.68  0.17  0.36  1.0
  Tc  Tc4  1  0.66  0.17  0.97  1.0
  Tc  Tc5  1  0.68  0.17  0.97  1.0
  Tc  Tc6  1  0.17  0.36  0.68  1.0
  Tc  Tc7  1  0.17  0.36  0.66  1.0
  Tc  Tc8  1  0.17  0.97  0.68  1.0
  Tc  Tc9  1  0.17  0.97  0.66  1.0
  Tc  Tc10  1  0.97  0.68  0.17  1.0
  Tc  Tc11  1  0.97  0.66  0.17  1.0
  Tc  Tc12  1  0.36  0.68  0.17  1.0
  Tc  Tc13  1  0.36  0.66  0.17  1.0
  Tc  Tc14  1  0.17  0.68  0.14  1.0
  Tc  Tc15  1  0.17  0.66  0.14  1.0
  Tc  Tc16  1  0.17  0.68  0.19  1.0
  Tc  Tc17  1  0.17  0.66  0.19  1.0
  Tc  Tc18  1  0.14  0.17  0.66  1.0
  Tc  Tc19  1  0.14  0.17  0.68  1.0
  Tc  Tc20  1  0.19  0.17  0.66  1.0
  Tc  Tc21  1  0.19  0.17  0.68  1.0
  Tc  Tc22  1  0.66  0.19  0.17  1.0
  Tc  Tc23  1  0.68  0.19  0.17  1.0
  Tc  Tc24  1  0.66  0.14  0.17  1.0
  Tc  Tc25  1  0.68  0.14  0.17  1.0
  Tc  Tc26  1  0.17  0.17  0.17  1.0
  Tc  Tc27  1  0.0  0.0  0.0  1.0

data_LaTc13
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.72
_cell_length_b   8.72
_cell_length_c   21.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LaTc13
_chemical_formula_sum   'La6 Tc78'
_cell_volume   1408.02
_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
  La  La0  3  0.0  0.0  0.75  1.0
  La  La1  3  0.0  0.0  0.92  1.0
  Tc  Tc2  9  0.0  0.49  0.34  1.0
  Tc  Tc3  9  0.02  0.52  0.33  1.0
  Tc  Tc4  9  0.03  0.26  0.6  1.0
  Tc  Tc5  9  0.04  0.28  0.6  1.0
  Tc  Tc6  9  0.1  0.71  0.73  1.0
  Tc  Tc7  9  0.11  0.7  0.73  1.0
  Tc  Tc8  9  0.15  0.82  0.65  1.0
  Tc  Tc9  9  0.16  0.35  0.67  1.0
  Tc  Tc10  3  0.0  0.0  0.0  1.0
  Tc  Tc11  3  0.0  0.0  0.83  1.0

La La Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc