data_Mg3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tc
_chemical_formula_sum   'Mg6 Tc2'
_cell_volume   157.93
_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
  Mg  Mg0  1  0.0  0.7  0.84  1.0
  Mg  Mg1  1  0.34  0.35  0.66  1.0
  Mg  Mg2  1  0.34  0.35  0.52  1.0
  Mg  Mg3  1  0.0  0.7  0.7  1.0
  Mg  Mg4  1  0.0  0.0  0.09  1.0
  Mg  Mg5  1  0.0  0.0  0.27  1.0
  Tc  Tc6  1  0.0  0.7  0.09  1.0
  Tc  Tc7  1  0.34  0.35  0.27  1.0

data_Mg3Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tc
_chemical_formula_sum   'Mg6 Tc2'
_cell_volume   157.93
_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
  Mg  Mg0  1  -0.0  0.7  0.7  1.0
  Mg  Mg1  1  -0.0  0.7  0.84  1.0
  Mg  Mg2  1  0.0  0.0  0.09  1.0
  Mg  Mg3  1  0.0  0.0  0.27  1.0
  Mg  Mg4  1  0.34  0.35  0.52  1.0
  Mg  Mg5  1  0.34  0.35  0.66  1.0
  Tc  Tc6  1  -0.0  0.7  0.09  1.0
  Tc  Tc7  1  0.34  0.35  0.27  1.0

Mg Mg Mg Mg Mg Mg Tc Tc
Mg Mg Mg Mg Mg Mg Tc Tc 0 3 o o o 1 2 o o o 4 6 o - o 4 5 o o o 5 7 o o o 