data_[Ga4Ni16As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1023]
_cell_length_b [5.2244]
_cell_length_c [12.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ga2Ni8As]
_chemical_formula_sum '[Ga4 Ni16 As2]'
_cell_volume [264.4315]
_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
[
  Ga  Ga0  4  0.0000  0.5000  0.1808  1.0
  Ni  Ni1  8  0.0000  0.2408  0.3527  1.0
  Ni  Ni2  4  0.0000  0.0000  0.1787  1.0
  Ni  Ni3  4  0.0000  0.2553  0.0000  1.0
  As  As4  2  0.0000  0.5000  0.5000  1.0
]