data_[Si1Ni4Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4779]
_cell_length_b [3.4779]
_cell_length_c [5.9849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SiNi4Ge]
_chemical_formula_sum '[Si1 Ni4 Ge1]'
_cell_volume [72.3928]
_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
[
  Si  Si0  1  0.5000  0.5000  0.7388  1
  Ni  Ni1  2  0.0000  0.5000  0.9907  1
  Ni  Ni2  1  0.0000  0.0000  0.6504  1
  Ni  Ni3  1  0.5000  0.5000  0.3651  1
  Ge  Ge4  1  0.0000  0.0000  0.2643  1
]