data_TaSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   145.81
_cell_angle_beta   122.01
_cell_angle_gamma   69.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Tc
_chemical_formula_sum   'Ta1 Si2 Tc1'
_cell_volume   60.22
_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
  Ta  Ta2  1  0.0  0.0  0.15  1.0
  Si  Si0  1  0.0  0.44  0.19  1.0
  Si  Si1  1  0.48  0.0  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_TaSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.89
_cell_length_c   5.04
_cell_angle_alpha   119.0
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Tc
_chemical_formula_sum   'Ta1 Si2 Tc1'
_cell_volume   60.22
_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
  Ta  Ta0  1  0.0  0.15  0.15  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.97  0.48  1.0
  Si  Si3  1  0.56  0.74  0.74  1.0

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