data_[Sr6Sm4Dy2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  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 [7.3251]
_cell_length_b [12.7013]
_cell_length_c [7.5387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sm2DySe6]
_chemical_formula_sum '[Sr6 Sm4 Dy2 Se12]'
_cell_volume [663.3523]
_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
[
  Sr  Sr0  4  0.0000  0.1681  0.5000  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3342  0.0000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2421  0.8360  0.2344  1.0
  Se  Se5  4  0.2490  0.0000  0.7643  1.0
]