data_TaTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.08
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   39.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcGe2
_chemical_formula_sum   'Ta1 Tc1 Ge2'
_cell_volume   63.92
_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  0.72  0.0  0.48  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.35  0.0  0.84  1.0
  Ge  Ge1  1  0.09  0.0  0.13  1.0

data_TaTcGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.52
_cell_length_c   5.08
_cell_angle_alpha   101.49
_cell_angle_beta   90.0
_cell_angle_gamma   109.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcGe2
_chemical_formula_sum   'Ta1 Tc1 Ge2'
_cell_volume   63.92
_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  0.28  0.52  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.65  0.16  1.0
  Ge  Ge3  1  0.0  0.91  0.87  1.0

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