data_[Ni8Ge4As4]
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 [Pbcm]
_cell_length_a [7.2706]
_cell_length_b [6.3098]
_cell_length_c [4.9934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ni2GeAs]
_chemical_formula_sum '[Ni8 Ge4 As4]'
_cell_volume [229.0803]
_cell_formula_units_Z [4]
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  0.1216  0.7500  0.0000  1.0
  Ni  Ni1  4  0.3709  0.2500  0.0000  1.0
  Ge  Ge2  4  0.3782  0.5872  0.2500  1.0
  As  As3  4  0.1280  0.0786  0.2500  1.0
]