data_[Li4Pa4Cr4Se16]
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 [Imma]
_cell_length_a [7.7929]
_cell_length_b [8.4672]
_cell_length_c [10.4864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiPaCrSe4]
_chemical_formula_sum '[Li4 Pa4 Cr4 Se16]'
_cell_volume [691.9355]
_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  0.2500  0.3409  1
  Pa  Pa1  4  0.0000  0.0000  0.0000  1
  Cr  Cr2  4  0.2500  0.2500  0.7500  1
  Se  Se3  8  0.0000  0.0433  0.7369  1
  Se  Se4  8  0.2405  0.2500  0.0048  1
]