data_[Ni16Ge4P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3372]
_cell_length_b [3.9313]
_cell_length_c [5.2008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni8Ge2P]
_chemical_formula_sum '[Ni16 Ge4 P2]'
_cell_volume [255.4376]
_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
[
  Ni  Ni0  4  0.0136  0.0000  0.7720  1.0
  Ni  Ni1  4  0.1104  0.5000  0.4171  1.0
  Ni  Ni2  4  0.1513  0.5000  0.9329  1.0
  Ni  Ni3  4  0.1949  0.0000  0.2500  1.0
  Ge  Ge4  4  0.1796  0.0000  0.6896  1.0
  P  P5  2  0.0000  0.5000  0.0000  1.0
]