data_[Tb6Sm4Sc2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  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 [17.9924]
_cell_length_b [4.1355]
_cell_length_c [8.2644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm2ScAs6]
_chemical_formula_sum '[Tb6 Sm4 Sc2 As12]'
_cell_volume [598.2865]
_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  4  0.1677  0.0000  0.8345  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.1650  0.0000  0.3308  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.0021  0.0000  0.7619  1.0
  As  As5  4  0.1622  0.5000  0.0774  1.0
  As  As6  4  0.1657  0.5000  0.5858  1.0
]