data_[Sc6Zn4Co6]
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 [Amm2]
_cell_length_a [4.6056]
_cell_length_b [5.9347]
_cell_length_c [9.0244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc3Zn2Co3]
_chemical_formula_sum '[Sc6 Zn4 Co6]'
_cell_volume [246.6636]
_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
[
  Sc  Sc0  4  0.5000  0.2395  0.4315  1
  Sc  Sc1  2  0.0000  0.0000  0.8222  1
  Zn  Zn2  2  0.0000  0.0000  0.3157  1
  Zn  Zn3  2  0.5000  0.0000  0.6773  1
  Co  Co4  4  0.0000  0.2336  0.0767  1
  Co  Co5  2  0.5000  0.0000  0.1682  1
]