data_[Tb4Y6Er2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  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 [17.0991]
_cell_length_b [3.9031]
_cell_length_c [7.8434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Y3ErS6]
_chemical_formula_sum '[Tb4 Y6 Er2 S12]'
_cell_volume [509.1249]
_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  0.3346  1.0
  Y  Y1  4  0.1677  0.0000  0.8326  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0005  0.0000  0.7541  1.0
  S  S5  4  0.1649  0.5000  0.0815  1.0
  S  S6  4  0.1662  0.5000  0.5837  1.0
]