data_[Ca4Ni4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.2517]
_cell_length_b [6.2517]
_cell_length_c [6.2517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [CaNiGe]
_chemical_formula_sum '[Ca4 Ni4 Ge4]'
_cell_volume [244.3400]
_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
[
  Ca  Ca0  4  0.1359  0.1359  0.1359  1.0
  Ni  Ni1  4  0.0807  0.5807  0.9193  1.0
  Ge  Ge2  4  0.1667  0.3333  0.6667  1.0
]