data_[Ga2Ni16As4]
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 [C2/m]
_cell_length_a [13.2715]
_cell_length_b [3.6675]
_cell_length_c [5.7586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(Ni4As)2]
_chemical_formula_sum '[Ga2 Ni16 As4]'
_cell_volume [260.6715]
_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  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni1  4  0.0347  0.0000  0.7466  1.0
  Ni  Ni2  4  0.0884  0.5000  0.4618  1.0
  Ni  Ni3  4  0.1587  0.0000  0.2348  1.0
  Ni  Ni4  4  0.1750  0.5000  0.9320  1.0
  As  As5  4  0.1956  0.0000  0.6713  1.0
]