data_[Sc12Zn3Co3Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5275]
_cell_length_b [4.5275]
_cell_length_c [22.2448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc4ZnCoNi2]
_chemical_formula_sum '[Sc12 Zn3 Co3 Ni6]'
_cell_volume [394.8898]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1292  1
  Sc  Sc1  6  0.0000  0.0000  0.3804  1
  Zn  Zn2  3  0.0000  0.0000  0.0000  1
  Co  Co3  3  -0.0000  -0.0000  0.5000  1
  Ni  Ni4  6  0.0000  0.0000  0.2501  1
]