data_[Ca6Dy4Y2S12]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8273]
_cell_length_b [11.8142]
_cell_length_c [6.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Dy2YS6]
_chemical_formula_sum '[Ca6 Dy4 Y2 S12]'
_cell_volume [527.8954]
_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  0.0000  0.1665  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Dy  Dy2  4  0.0000  0.3333  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2486  0.1670  0.2450  1
  S  S5  4  0.2476  0.5000  0.2450  1
]