data_[Ta4Ni2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1485]
_cell_length_b [3.6483]
_cell_length_c [7.0466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta2NiGe]
_chemical_formula_sum '[Ta4 Ni2 Ge2]'
_cell_volume [124.4504]
_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
[
  Ta  Ta0  2  0.1867  0.7500  0.4273  1.0
  Ta  Ta1  2  0.1969  0.7500  0.9181  1.0
  Ni  Ni2  2  0.3446  0.2500  0.7079  1.0
  Ge  Ge3  2  0.3515  0.2500  0.2137  1.0
]