data_[Y8Pa8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0990]
_cell_length_b [11.8167]
_cell_length_c [6.9235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YPaSe3]
_chemical_formula_sum '[Y8 Pa8 Se24]'
_cell_volume [1132.9457]
_cell_formula_units_Z [8]
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
[
  Y  Y0  8  0.2462  0.4152  0.3207  1
  Pa  Pa1  4  0.0000  0.0788  0.2500  1
  Pa  Pa2  4  0.0000  0.2597  0.7500  1
  Se  Se3  8  0.1202  0.4240  0.9519  1
  Se  Se4  8  0.1221  0.2497  0.4620  1
  Se  Se5  8  0.1277  0.0896  0.9673  1
]