data_CuTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   129.39
_cell_angle_beta   129.39
_cell_angle_gamma   74.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcGe2
_chemical_formula_sum   'Cu1 Tc1 Ge2'
_cell_volume   58.06
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.69  1.0
  Ge  Ge1  1  0.98  0.0  0.85  1.0
  Ge  Ge2  1  0.0  0.98  0.85  1.0

data_CuTcGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   127.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuTcGe2
_chemical_formula_sum   'Cu2 Tc2 Ge4'
_cell_volume   116.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.31  0.0  0.31  1.0
  Ge  Ge2  4  0.14  0.01  0.13  1.0

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