data_[Dy12Mn4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5702]
_cell_length_b [13.2311]
_cell_length_c [6.5493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3MnS6]
_chemical_formula_sum '[Dy12 Mn4 S24]'
_cell_volume [915.9595]
_cell_formula_units_Z [4]
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  8  0.1826  0.0988  0.0193  1.0
  Dy  Dy1  4  0.0000  0.4004  0.1048  1.0
  Mn  Mn2  4  0.0000  0.1994  0.4802  1.0
  S  S3  8  0.1626  0.4715  0.8126  1.0
  S  S4  8  0.1648  0.2652  0.3037  1.0
  S  S5  4  0.0000  0.0396  0.3275  1.0
  S  S6  4  0.0000  0.2203  0.8309  1.0
]