data_MgSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   134.81
_cell_angle_beta   134.81
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Tc
_chemical_formula_sum   'Mg1 Si2 Tc1'
_cell_volume   57.58
_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  0.0  1.0
  Si  Si1  1  0.87  0.0  0.05  1.0
  Si  Si2  1  0.0  0.0  0.1  1.0
  Tc  Tc3  1  0.0  0.87  0.05  1.0

data_MgSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.88
_cell_angle_alpha   112.6
_cell_angle_beta   112.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Tc
_chemical_formula_sum   'Mg1 Si2 Tc1'
_cell_volume   57.58
_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  0.0  1.0
  Tc  Tc1  1  0.83  0.87  0.83  1.0
  Si  Si2  1  0.9  0.0  0.9  1.0
  Si  Si3  1  0.95  0.0  0.83  1.0

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