data_[Ca8Dy6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1560]
_cell_length_b [11.2069]
_cell_length_c [7.9144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca4Dy3S8]
_chemical_formula_sum '[Ca8 Dy6 S16]'
_cell_volume [704.6660]
_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
[
  Ca  Ca0  4  0.2500  0.2500  0.5000  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy3  4  0.2500  0.2500  0.0000  1.0
  Dy  Dy4  2  0.0000  0.0000  0.5000  1.0
  S  S5  4  0.0000  0.2478  0.5000  1.0
  S  S6  4  0.0000  0.2491  0.0000  1.0
  S  S7  4  0.2412  0.0000  0.4930  1.0
  S  S8  4  0.2476  0.0000  0.9934  1.0
]