data_[Li6Pa2Cr4Se12]
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
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6381]
_cell_length_b [11.4960]
_cell_length_c [6.8274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Pa(CrSe3)2]
_chemical_formula_sum '[Li6 Pa2 Cr4 Se12]'
_cell_volume [493.0824]
_cell_formula_units_Z [2]
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  0.1645  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Cr  Cr3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2442  0.3243  0.7598  1
  Se  Se5  4  0.2285  0.5000  0.2409  1
]