data_[Th2Sc4Co2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [I4/mmm]
_cell_length_a [5.5494]
_cell_length_b [5.5494]
_cell_length_c [11.0486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [ThSc2CoSn2]
_chemical_formula_sum '[Th2 Sc4 Co2 Sn4]'
_cell_volume [340.2487]
_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
[
  Th  Th0  2  0.0000  0.0000  0.5000  1
  Sc  Sc1  4  0.0000  0.5000  0.2500  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.0000  0.0000  0.2187  1
]