data_[Ni16Ge8As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.1064]
_cell_length_b [14.4402]
_cell_length_c [6.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [Ni2GeAs]
_chemical_formula_sum '[Ni16 Ge8 As8]'
_cell_volume [456.0857]
_cell_formula_units_Z [8]
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  8  0.0060  0.1811  0.2839  1
  Ni  Ni1  8  0.0063  0.5646  0.7927  1
  Ge  Ge2  8  0.2021  0.5592  0.4158  1
  As  As3  8  0.2074  0.1847  0.9241  1
]