data_[Sm4Dy2Er6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1510]
_cell_length_b [3.8948]
_cell_length_c [7.8774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Dy(ErS2)3]
_chemical_formula_sum '[Sm4 Dy2 Er6 S12]'
_cell_volume [510.8199]
_cell_formula_units_Z [2]
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  4  0.1673  0.0000  0.3348  1.0
  Dy  Dy1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1680  0.0000  0.8330  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0033  0.0000  0.7491  1.0
  S  S5  4  0.1633  0.5000  0.5910  1.0
  S  S6  4  0.1669  0.5000  0.0740  1.0
]