data_[Tb6Er4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7650]
_cell_length_b [11.6737]
_cell_length_c [6.7164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3(ErS3)2]
_chemical_formula_sum '[Tb6 Er4 S12]'
_cell_volume [499.8915]
_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  0.0000  0.3375  0.0000  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Er  Er2  4  0.0000  0.1657  0.5000  1
  S  S3  8  0.2497  0.3325  0.7467  1
  S  S4  4  0.2474  0.0000  0.7408  1
]