data_[Sc6Zn48Co3]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.8093]
_cell_length_b [8.8093]
_cell_length_c [12.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc2Zn16Co]
_chemical_formula_sum '[Sc6 Zn48 Co3]'
_cell_volume [872.5093]
_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  3  0.0000  0.0000  0.3354  1
  Sc  Sc1  3  0.0000  0.0000  0.6822  1
  Zn  Zn2  18  0.0399  0.3728  0.6651  1
  Zn  Zn3  9  0.0009  0.5005  0.1476  1
  Zn  Zn4  9  0.0082  0.5041  0.4999  1
  Zn  Zn5  9  0.1757  0.3513  0.1843  1
  Zn  Zn6  3  0.0000  0.0000  0.0978  1
  Co  Co7  3  0.0000  0.0000  0.8986  1
]