data_Mg2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   16.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Tc
_chemical_formula_sum   'Mg16 Tc8'
_cell_volume   435.7
_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
  Mg  Mg0  1  0.73  0.58  0.14  1.0
  Mg  Mg1  1  0.0  0.15  0.73  1.0
  Mg  Mg2  1  0.0  0.15  0.58  1.0
  Mg  Mg3  1  0.73  0.58  0.3  1.0
  Mg  Mg4  1  0.63  0.36  0.0  1.0
  Mg  Mg5  1  0.37  0.36  0.0  1.0
  Mg  Mg6  1  0.73  0.0  0.0  1.0
  Mg  Mg7  1  0.63  0.36  0.44  1.0
  Mg  Mg8  1  0.37  0.36  0.44  1.0
  Mg  Mg9  1  0.73  0.0  0.44  1.0
  Mg  Mg10  1  0.3  0.75  0.22  1.0
  Mg  Mg11  1  0.16  0.75  0.22  1.0
  Mg  Mg12  1  0.73  0.23  0.22  1.0
  Mg  Mg13  1  0.43  0.98  0.65  1.0
  Mg  Mg14  1  0.57  0.98  0.65  1.0
  Mg  Mg15  1  0.0  0.5  0.65  1.0
  Tc  Tc16  1  0.0  0.0  0.2  1.0
  Tc  Tc17  1  0.0  0.0  0.67  1.0
  Tc  Tc18  1  0.0  0.0  0.64  1.0
  Tc  Tc19  1  0.0  0.0  0.23  1.0
  Tc  Tc20  1  0.73  0.58  0.85  1.0
  Tc  Tc21  1  0.0  0.15  0.03  1.0
  Tc  Tc22  1  0.0  0.15  0.41  1.0
  Tc  Tc23  1  0.73  0.58  0.46  1.0

data_Mg2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   16.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Tc
_chemical_formula_sum   'Mg16 Tc8'
_cell_volume   435.7
_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
  Mg  Mg0  1  -0.0  0.5  0.65  1.0
  Mg  Mg1  1  -0.0  0.15  0.58  1.0
  Mg  Mg2  1  -0.0  0.15  0.73  1.0
  Mg  Mg3  1  0.16  0.75  0.22  1.0
  Mg  Mg4  1  0.3  0.75  0.22  1.0
  Mg  Mg5  1  0.37  0.36  -0.0  1.0
  Mg  Mg6  1  0.37  0.36  0.44  1.0
  Mg  Mg7  1  0.43  0.98  0.65  1.0
  Mg  Mg8  1  0.57  0.98  0.65  1.0
  Mg  Mg9  1  0.63  0.36  -0.0  1.0
  Mg  Mg10  1  0.63  0.36  0.44  1.0
  Mg  Mg11  1  0.73  0.0  0.0  1.0
  Mg  Mg12  1  0.73  0.0  0.44  1.0
  Mg  Mg13  1  0.73  0.23  0.22  1.0
  Mg  Mg14  1  0.73  0.58  0.14  1.0
  Mg  Mg15  1  0.73  0.58  0.3  1.0
  Tc  Tc16  1  -0.0  0.15  0.03  1.0
  Tc  Tc17  1  -0.0  0.15  0.41  1.0
  Tc  Tc18  1  0.0  0.0  0.2  1.0
  Tc  Tc19  1  0.0  0.0  0.23  1.0
  Tc  Tc20  1  0.0  0.0  0.64  1.0
  Tc  Tc21  1  0.0  0.0  0.67  1.0
  Tc  Tc22  1  0.73  0.58  0.46  1.0
  Tc  Tc23  1  0.73  0.58  0.85  1.0

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