data_[Ni16Sb2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4410]
_cell_length_b [12.1484]
_cell_length_c [4.4833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni8SbAs2]
_chemical_formula_sum '[Ni16 Sb2 As4]'
_cell_volume [276.6303]
_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  8  0.2394  0.3160  0.2487  1
  Ni  Ni1  4  0.0000  0.1186  0.0000  1
  Ni  Ni2  4  0.0944  0.5000  0.8369  1
  Sb  Sb3  2  0.0000  0.0000  0.5000  1
  As  As4  4  0.0000  0.3396  0.5000  1
]