data_[Ce3Sm6Dy3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0731]
_cell_length_b [7.0731]
_cell_length_c [18.7463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeSm2DyS6]
_chemical_formula_sum '[Ce3 Sm6 Dy3 S18]'
_cell_volume [812.2170]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.1873  1.0
  Sm  Sm1  3  0.0000  0.0000  0.4798  1.0
  Sm  Sm2  3  0.0000  0.0000  0.9824  1.0
  Dy  Dy3  3  0.0000  0.0000  0.6838  1.0
  S  S4  9  0.0053  0.7104  0.5847  1.0
  S  S5  9  0.0359  0.3602  0.7503  1.0
]