data_[Sc8Ni8Sb4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [Pm]
_cell_length_a [8.3232]
_cell_length_b [4.1749]
_cell_length_c [12.9301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sc2Ni2SbAs]
_chemical_formula_sum '[Sc8 Ni8 Sb4 As4]'
_cell_volume [425.4366]
_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
[
  Sc  Sc0  1  0.0516  0.5000  0.7648  1
  Sc  Sc1  1  0.1833  0.0000  0.5171  1
  Sc  Sc2  1  0.2885  0.5000  0.2252  1
  Sc  Sc3  1  0.3783  0.0000  0.9719  1
  Sc  Sc4  1  0.5341  0.5000  0.7295  1
  Sc  Sc5  1  0.6679  0.0000  0.5218  1
  Sc  Sc6  1  0.7677  0.5000  0.2253  1
  Sc  Sc7  1  0.9286  0.0000  0.9720  1
  Ni  Ni8  1  0.0924  0.5000  0.3737  1
  Ni  Ni9  1  0.3606  0.0000  0.3537  1
  Ni  Ni10  1  0.4632  0.5000  0.0990  1
  Ni  Ni11  1  0.5987  0.0000  0.8610  1
  Ni  Ni12  1  0.6104  0.5000  0.3755  1
  Ni  Ni13  1  0.8241  0.0000  0.3526  1
  Ni  Ni14  1  0.9708  0.5000  0.1024  1
  Ni  Ni15  1  0.9855  0.0000  0.6343  1
  Sb  Sb16  1  0.0330  0.0000  0.2355  1
  Sb  Sb17  1  0.4099  0.5000  0.4887  1
  Sb  Sb18  1  0.6582  0.5000  0.9800  1
  Sb  Sb19  1  0.9165  0.5000  0.5021  1
  As  As20  1  0.1623  0.5000  0.9924  1
  As  As21  1  0.2924  0.0000  0.7454  1
  As  As22  1  0.5302  0.0000  0.2289  1
  As  As23  1  0.7918  0.0000  0.7473  1
]