data_[Tb12Tm3Ag3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0560]
_cell_length_b [8.0560]
_cell_length_c [19.5794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb4TmAgS8]
_chemical_formula_sum '[Tb12 Tm3 Ag3 S24]'
_cell_volume [1100.4516]
_cell_formula_units_Z [3]
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  9  0.1723  0.3446  0.8318  1.0
  Tb  Tb1  3  0.0000  0.0000  0.6242  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0044  1.0
  Ag  Ag3  3  0.0000  0.0000  0.3757  1.0
  S  S4  9  0.0225  0.5112  0.7512  1.0
  S  S5  9  0.1795  0.3591  0.5819  1.0
  S  S6  3  0.0000  0.0000  0.2426  1.0
  S  S7  3  0.0000  0.0000  0.7582  1.0
]