data_[Dy8Mg2S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6101]
_cell_length_b [3.8080]
_cell_length_c [11.4918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Dy4MgS7]
_chemical_formula_sum '[Dy8 Mg2 S14]'
_cell_volume [532.7233]
_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
[
  Dy  Dy0  2  0.0018  0.0000  0.0058  1.0
  Dy  Dy1  2  0.1949  0.5000  0.8031  1.0
  Dy  Dy2  2  0.3087  0.0000  0.2073  1.0
  Dy  Dy3  2  0.3857  0.5000  0.5679  1.0
  Mg  Mg4  2  0.1138  0.0000  0.4216  1.0
  S  S5  2  0.0390  0.0000  0.7848  1.0
  S  S6  2  0.1627  0.5000  0.0517  1.0
  S  S7  2  0.2317  0.5000  0.3532  1.0
  S  S8  2  0.2559  0.0000  0.6406  1.0
  S  S9  2  0.3414  0.0000  0.9487  1.0
  S  S10  2  0.4644  0.5000  0.2232  1.0
  S  S11  2  0.5000  0.0000  0.4920  1.0
]