data_[Pa4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7879]
_cell_length_b [9.2498]
_cell_length_c [8.4922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PaCuSe5]
_chemical_formula_sum '[Pa4 Cu4 Se20]'
_cell_volume [765.0100]
_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
[
  Pa  Pa0  4  0.0000  0.4405  0.7500  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  Se  Se2  8  0.0980  0.3253  0.1285  1
  Se  Se3  8  0.2312  0.0371  0.5786  1
  Se  Se4  4  0.0000  0.1391  0.7500  1
]