data_[Dy4Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2303]
_cell_length_b [3.8906]
_cell_length_c [13.2703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [DyCrSe3]
_chemical_formula_sum '[Dy4 Cr4 Se12]'
_cell_volume [424.9280]
_cell_formula_units_Z [4]
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
[
  Dy  Dy0  4  0.0798  0.7500  0.1717  1.0
  Cr  Cr1  4  0.1641  0.2500  0.4513  1.0
  Se  Se2  4  0.0061  0.2500  0.6107  1.0
  Se  Se3  4  0.1529  0.2500  0.0084  1.0
  Se  Se4  4  0.1973  0.7500  0.7836  1.0
]