data_[Tb2Er6Sc4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6183]
_cell_length_b [11.4836]
_cell_length_c [6.6118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbEr3(ScS3)2]
_chemical_formula_sum '[Tb2 Er6 Sc4 S12]'
_cell_volume [473.7264]
_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
  Er  Er1  4  0.0000  0.1625  0.5000  1.0
  Er  Er2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.0000  0.3344  0.0000  1.0
  S  S4  8  0.2465  0.3280  0.7553  1.0
  S  S5  4  0.2363  0.5000  0.2412  1.0
]