data_[Li4Pa4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [9.7339]
_cell_length_b [13.5664]
_cell_length_c [7.0363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPaSe4]
_chemical_formula_sum '[Li4 Pa4 Se16]'
_cell_volume [681.7742]
_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
[
  Li  Li0  4  0.0000  0.4476  0.7500  1
  Pa  Pa1  4  0.0000  0.0902  0.7500  1
  Se  Se2  8  0.1925  0.2922  0.0833  1
  Se  Se3  8  0.2290  0.0465  0.2788  1
]