data_[Ca3Ce3Dy12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4677]
_cell_length_b [8.4677]
_cell_length_c [21.0652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaCe(DySe2)4]
_chemical_formula_sum '[Ca3 Ce3 Dy12 Se24]'
_cell_volume [1308.0657]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6259  1
  Ce  Ce1  3  0.0000  0.0000  0.9988  1
  Dy  Dy2  9  0.0050  0.5025  0.5006  1
  Dy  Dy3  3  0.0000  0.0000  0.3742  1
  Se  Se4  9  0.0141  0.5070  0.7557  1
  Se  Se5  9  0.1774  0.3549  0.5768  1
  Se  Se6  3  0.0000  0.0000  0.2420  1
  Se  Se7  3  0.0000  0.0000  0.7601  1
]