data_[Dy3Pa3Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7859]
_cell_length_b [3.7859]
_cell_length_c [23.0370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyPaSe2]
_chemical_formula_sum '[Dy3 Pa3 Se6]'
_cell_volume [285.9537]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4980  1
  Pa  Pa1  3  0.0000  0.0000  0.6684  1
  Se  Se2  3  0.0000  0.0000  0.0852  1
  Se  Se3  3  0.0000  0.0000  0.2484  1
]