data_[Sc4Ni4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9594]
_cell_length_b [3.9594]
_cell_length_c [14.2289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [ScNiAs]
_chemical_formula_sum '[Sc4 Ni4 As4]'
_cell_volume [193.1750]
_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  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.2500  1.0
  Ni  Ni2  4  0.3333  0.6667  0.8545  1.0
  As  As3  4  0.3333  0.6667  0.3837  1.0
]