data_Tc2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   31.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiGe
_chemical_formula_sum   'Tc2 Ni1 Ge1'
_cell_volume   54.76
_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
  Tc  Tc2  1  0.01  0.0  0.08  1.0
  Tc  Tc3  1  0.0  0.0  0.47  1.0
  Ni  Ni1  1  0.0  0.0  0.99  1.0
  Ge  Ge0  1  0.01  0.0  0.82  1.0

data_Tc2NiGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.78
_cell_length_b   4.02
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   105.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tc2NiGe
_chemical_formula_sum   'Tc2 Ni1 Ge1'
_cell_volume   54.76
_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
  Tc  Tc0  1  0.53  0.0  0.53  1.0
  Tc  Tc1  1  0.92  0.0  0.92  1.0
  Ni  Ni2  1  0.01  0.0  0.01  1.0
  Ge  Ge3  1  0.18  0.0  0.18  1.0

Tc Tc Ni Ge
Tc Tc Ni Ge 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 