data_[Ni4Ge4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3314]
_cell_length_b [6.1352]
_cell_length_c [6.2697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiGeTe]
_chemical_formula_sum '[Ni4 Ge4 Te4]'
_cell_volume [233.2601]
_cell_formula_units_Z [4]
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
[
  Ni  Ni0  4  0.2613  0.0137  0.2483  1.0
  Ge  Ge1  4  0.3720  0.1441  0.6293  1.0
  Te  Te2  4  0.1536  0.6324  0.3448  1.0
]