data_[Tb6Ce4Sc2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  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 [17.9642]
_cell_length_b [4.1305]
_cell_length_c [8.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ce2ScAs6]
_chemical_formula_sum '[Tb6 Ce4 Sc2 As12]'
_cell_volume [595.5607]
_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  0.1673  0.0000  0.8350  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  4  0.1643  0.0000  0.3297  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.0014  0.0000  0.7611  1
  As  As5  4  0.1623  0.5000  0.0789  1
  As  As6  4  0.1665  0.5000  0.5847  1
]