data_TiTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.02
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcGe2
_chemical_formula_sum   'Ti1 Tc1 Ge2'
_cell_volume   62.02
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.64  0.0  0.35  1.0
  Ge  Ge0  1  0.0  0.01  0.35  1.0
  Ge  Ge1  1  0.64  0.01  0.0  1.0

data_TiTcGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.27
_cell_length_b   4.02
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiTcGe2
_chemical_formula_sum   'Ti1 Tc1 Ge2'
_cell_volume   62.02
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.64  0.0  0.35  1.0
  Ge  Ge2  1  0.0  0.0  0.35  1.0
  Ge  Ge3  1  0.64  0.0  0.0  1.0

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