data_[Ca2Nd6Dy4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1528]
_cell_length_b [12.4197]
_cell_length_c [7.3290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaNd3(DySe3)2]
_chemical_formula_sum '[Ca2 Nd6 Dy4 Se12]'
_cell_volume [615.2075]
_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  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.0000  0.1646  0.5000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy3  4  0.0000  0.3326  0.0000  1.0
  Se  Se4  8  0.2467  0.1676  0.2382  1.0
  Se  Se5  4  0.2434  0.5000  0.2339  1.0
]