data_[Dy3Mg3Sc12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6145]
_cell_length_b [7.6145]
_cell_length_c [18.9807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyMg(ScS2)4]
_chemical_formula_sum '[Dy3 Mg3 Sc12 S24]'
_cell_volume [953.0577]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.0014  1
  Mg  Mg1  3  0.0000  0.0000  0.3740  1
  Sc  Sc2  9  0.1700  0.3400  0.8325  1
  Sc  Sc3  3  0.0000  0.0000  0.6270  1
  S  S4  9  0.0120  0.5060  0.7560  1
  S  S5  9  0.1725  0.3450  0.5769  1
  S  S6  3  0.0000  0.0000  0.2429  1
  S  S7  3  0.0000  0.0000  0.7584  1
]