data_[Tb4Er2S8]
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 [14.2092]
_cell_length_b [3.9459]
_cell_length_c [6.9374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2ErS4]
_chemical_formula_sum '[Tb4 Er2 S8]'
_cell_volume [347.8390]
_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  0.2251  0.5000  0.7180  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1221  0.0000  0.4326  1.0
  S  S3  4  0.1371  0.5000  0.0037  1.0
]