data_[Tb4Sm6Er2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  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 [6.8254]
_cell_length_b [11.8669]
_cell_length_c [6.8809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sm3ErS6]
_chemical_formula_sum '[Tb4 Sm6 Er2 S12]'
_cell_volume [525.8100]
_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  0.3332  0.0000  1
  Sm  Sm1  4  0.0000  0.1686  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2446  0.1648  0.2397  1
  S  S5  4  0.2492  0.0000  0.7587  1
]