data_Si2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   135.46
_cell_angle_beta   124.56
_cell_angle_gamma   73.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcNi
_chemical_formula_sum   'Si2 Tc1 Ni1'
_cell_volume   50.04
_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
  Si  Si1  1  0.0  0.07  0.89  1.0
  Si  Si2  1  0.69  0.0  0.68  1.0
  Tc  Tc3  1  0.0  0.0  0.57  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Si2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.15
_cell_length_c   4.46
_cell_angle_alpha   117.72
_cell_angle_beta   112.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcNi
_chemical_formula_sum   'Si2 Tc1 Ni1'
_cell_volume   50.04
_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
  Tc  Tc0  1  0.0  0.57  0.57  1.0
  Si  Si1  1  0.0  0.68  0.99  1.0
  Si  Si2  1  0.93  0.81  0.81  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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