data_[Tb2Dy4Sc6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9505]
_cell_length_b [12.0392]
_cell_length_c [6.9279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbDy2(ScAs2)3]
_chemical_formula_sum '[Tb2 Dy4 Sc6 As12]'
_cell_volume [546.6736]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  4  0.0000  0.3333  0.0000  1.0
  Sc  Sc2  4  0.0000  0.1665  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  As  As4  8  0.2445  0.6670  0.7345  1.0
  As  As5  4  0.2456  0.0000  0.7345  1.0
]