data_[Sc16Co4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1509]
_cell_length_b [12.3568]
_cell_length_c [4.8226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Co2Sn]
_chemical_formula_sum '[Sc16 Co4 Sn2]'
_cell_volume [472.2229]
_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  8  0.1998  0.1315  0.0738  1.0
  Sc  Sc1  4  0.0000  0.2514  0.5000  1.0
  Sc  Sc2  4  0.1098  0.5000  0.3001  1.0
  Co  Co3  4  0.0000  0.3117  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
]