data_[Sc2Zn8Co2]
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 [Pmma]
_cell_length_a [7.5567]
_cell_length_b [3.8291]
_cell_length_c [6.4680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ScZn4Co]
_chemical_formula_sum '[Sc2 Zn8 Co2]'
_cell_volume [187.1547]
_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  2  0.2500  0.0000  0.3991  1.0
  Zn  Zn1  4  0.0540  0.5000  0.6896  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  2  0.2500  0.5000  0.0512  1.0
  Co  Co4  2  0.2500  0.0000  0.7777  1.0
]