data_[Ni16Ge2As4]
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 [C2/m]
_cell_length_a [13.1201]
_cell_length_b [3.7534]
_cell_length_c [5.7840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni8GeAs2]
_chemical_formula_sum '[Ni16 Ge2 As4]'
_cell_volume [262.9351]
_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  0.0305  0.0000  0.7674  1.0
  Ni  Ni1  4  0.0907  0.5000  0.4556  1.0
  Ni  Ni2  4  0.1723  0.5000  0.9344  1.0
  Ni  Ni3  4  0.1731  0.0000  0.2540  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1880  0.0000  0.6731  1.0
]