data_[Ni2Ge6P8]
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 [I-42m]
_cell_length_a [5.3437]
_cell_length_b [5.3437]
_cell_length_c [10.7007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [NiGe3P4]
_chemical_formula_sum '[Ni2 Ge6 P8]'
_cell_volume [305.5569]
_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  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  4  0.0000  0.5000  0.2500  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  P  P3  8  0.2335  0.2335  0.8847  1.0
]