data_[Tb4Pr6Er2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  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 [6.9512]
_cell_length_b [11.9486]
_cell_length_c [6.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pr3ErS6]
_chemical_formula_sum '[Tb4 Pr6 Er2 S12]'
_cell_volume [544.6920]
_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  1.0
  Pr  Pr1  4  0.0000  0.1683  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2416  0.1648  0.2314  1.0
  S  S5  4  0.2476  0.5000  0.2329  1.0
]