data_Cu2TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   136.99
_cell_angle_beta   136.99
_cell_angle_gamma   62.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcGe
_chemical_formula_sum   'Cu2 Tc1 Ge1'
_cell_volume   54.33
_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  0.8  0.1  1.0
  Cu  Cu1  1  0.8  0.0  0.1  1.0
  Tc  Tc3  1  0.0  0.0  0.2  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_Cu2TcGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   121.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2TcGe
_chemical_formula_sum   'Cu4 Tc2 Ge2'
_cell_volume   108.65
_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  4  0.1  0.1  0.3  1.0
  Tc  Tc1  2  0.0  0.0  0.2  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0

Cu Cu Tc Ge