data_[Sm12Er3Tm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1494]
_cell_length_b [8.1494]
_cell_length_c [19.9202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm4ErTmS8]
_chemical_formula_sum '[Sm12 Er3 Tm3 S24]'
_cell_volume [1145.7026]
_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
[
  Sm  Sm0  9  0.1681  0.3361  0.8331  1
  Sm  Sm1  3  0.0000  0.0000  0.6243  1
  Er  Er2  3  0.0000  0.0000  0.0008  1
  Tm  Tm3  3  0.0000  0.0000  0.3756  1
  S  S4  9  0.0164  0.5082  0.7485  1
  S  S5  9  0.1805  0.3609  0.5834  1
  S  S6  3  0.0000  0.0000  0.2470  1
  S  S7  3  0.0000  0.0000  0.7572  1
]