data_[Ca2Dy2Cu2S6]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0207]
_cell_length_b [3.8521]
_cell_length_c [8.5278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaDyCuS3]
_chemical_formula_sum '[Ca2 Dy2 Cu2 S6]'
_cell_volume [257.5397]
_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  2  0.1834  0.7500  0.2351  1
  Dy  Dy1  2  0.3284  0.2500  0.8272  1
  Cu  Cu2  2  0.0854  0.7500  0.5851  1
  S  S3  2  0.0965  0.7500  0.8614  1
  S  S4  2  0.2225  0.2500  0.5042  1
  S  S5  2  0.4259  0.2500  0.1622  1
]