data_MgSiTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.21
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiTc2
_chemical_formula_sum   'Mg1 Si1 Tc2'
_cell_volume   60.14
_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  0.63  0.0  0.61  1.0
  Si  Si1  1  0.19  0.1  0.67  1.0
  Tc  Tc2  1  0.43  0.0  0.04  1.0
  Tc  Tc3  1  0.04  0.1  0.05  1.0

data_MgSiTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.21
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiTc2
_chemical_formula_sum   'Mg1 Si1 Tc2'
_cell_volume   60.14
_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  0.63  0.0  0.61  1.0
  Tc  Tc1  1  0.04  0.1  0.05  1.0
  Si  Si2  1  0.19  0.1  0.67  1.0
  Tc  Tc3  1  0.43  0.0  0.04  1.0

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