data_[Dy12Tl4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2428]
_cell_length_b [6.6525]
_cell_length_c [10.2729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Dy3TlSe]
_chemical_formula_sum '[Dy12 Tl4 Se4]'
_cell_volume [577.8206]
_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  0.0649  0.5887  0.8360  1
  Dy  Dy1  4  0.2122  0.0809  0.0387  1
  Dy  Dy2  4  0.3881  0.6352  0.3042  1
  Tl  Tl3  4  0.3845  0.1656  0.3760  1
  Se  Se4  4  0.0852  0.7329  0.0969  1
]