data_[Tb2Er2S6]
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 [P2_1/m]
_cell_length_a [7.7299]
_cell_length_b [3.8766]
_cell_length_c [7.7356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbErS3]
_chemical_formula_sum '[Tb2 Er2 S6]'
_cell_volume [231.0721]
_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  0.3811  0.2500  0.2305  1.0
  Er  Er1  2  0.1460  0.7500  0.6806  1.0
  S  S2  2  0.1028  0.7500  0.3207  1.0
  S  S3  2  0.3209  0.7500  0.9811  1.0
  S  S4  2  0.3773  0.2500  0.6134  1.0
]