data_Mg3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   5.8
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tc
_chemical_formula_sum   'Mg6 Tc2'
_cell_volume   144.26
_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  0.0  0.33  1.0
  Mg  Mg1  1  0.39  0.9  0.87  1.0
  Mg  Mg2  1  0.39  0.44  0.35  1.0
  Mg  Mg3  1  0.39  0.36  0.35  1.0
  Mg  Mg4  1  0.0  0.34  0.85  1.0
  Mg  Mg5  1  0.0  0.46  0.85  1.0
  Tc  Tc6  1  0.39  0.0  0.8  1.0
  Tc  Tc7  1  0.0  0.9  0.39  1.0

data_Mg3Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   5.2
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tc
_chemical_formula_sum   'Mg6 Tc2'
_cell_volume   144.26
_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  0.15  0.54  1.0
  Mg  Mg1  1  0.0  0.15  0.66  1.0
  Mg  Mg2  1  0.0  0.67  0.0  1.0
  Mg  Mg3  1  0.61  0.13  0.1  1.0
  Mg  Mg4  1  0.61  0.65  0.56  1.0
  Mg  Mg5  1  0.61  0.65  0.64  1.0
  Tc  Tc6  1  0.0  0.61  0.1  1.0
  Tc  Tc7  1  0.61  0.2  0.0  1.0

Mg Mg Mg Mg Mg Mg Tc Tc