data_[Tc10Ni2Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0681]
_cell_length_b [8.8234]
_cell_length_c [8.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc5NiGe6]
_chemical_formula_sum '[Tc10 Ni2 Ge12]'
_cell_volume [354.6377]
_cell_formula_units_Z [2]
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  Tc0  4  0.0000  0.1607  0.5000  1
  Tc  Tc1  4  0.0000  0.3326  0.0000  1
  Tc  Tc2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Ge  Ge4  8  0.2484  0.3316  0.7506  1
  Ge  Ge5  4  0.2485  0.5000  0.2458  1
]