data_[Sm9Y12Er3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8917]
_cell_length_b [7.8917]
_cell_length_c [19.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm3Y4ErS8]
_chemical_formula_sum '[Sm9 Y12 Er3 S24]'
_cell_volume [1044.1084]
_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  0.0000  0.5000  0.0000  1
  Y  Y1  9  0.0000  0.5000  0.5000  1
  Y  Y2  3  -0.0000  -0.0000  0.5000  1
  Er  Er3  3  -0.0000  -0.0000  0.0000  1
  S  S4  18  0.0068  0.5034  0.7513  1
  S  S5  6  0.0000  0.0000  0.2469  1
]