data_MgSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Tc
_chemical_formula_sum   'Mg1 Si2 Tc1'
_cell_volume   62.04
_cell_formula_units_Z   1
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  0.1  1.0
  Si  Si1  1  0.68  0.0  0.95  1.0
  Si  Si2  1  0.0  0.0  0.02  1.0
  Tc  Tc3  1  0.68  0.0  0.28  1.0

data_MgSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Tc
_chemical_formula_sum   'Mg1 Si2 Tc1'
_cell_volume   62.04
_cell_formula_units_Z   1
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  0.1  1.0
  Si  Si1  1  0.0  0.0  0.02  1.0
  Tc  Tc2  1  0.68  0.0  0.28  1.0
  Si  Si3  1  0.68  0.0  0.95  1.0

Mg Si Si Tc
Mg Si Si Tc 0 2 o o o 0 3 - o o 1 2 + o + 