data_[Dy12Ta4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2207]
_cell_length_b [13.9036]
_cell_length_c [6.7974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3TaSe6]
_chemical_formula_sum '[Dy12 Ta4 Se24]'
_cell_volume [1060.4406]
_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  8  0.1781  0.0948  0.5219  1
  Dy  Dy1  4  0.0000  0.4071  0.6166  1
  Ta  Ta2  4  0.0000  0.1973  0.9703  1
  Se  Se3  8  0.1637  0.4660  0.3213  1
  Se  Se4  8  0.1706  0.2687  0.7921  1
  Se  Se5  4  0.0000  0.0305  0.8222  1
  Se  Se6  4  0.0000  0.2220  0.3350  1
]