data_[Li2Pa1Re1O6]
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
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.8136]
_cell_length_b [5.8136]
_cell_length_c [4.3068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Li2PaReO6]
_chemical_formula_sum '[Li2 Pa1 Re1 O6]'
_cell_volume [145.5596]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.8612  1
  Pa  Pa1  1  0.5000  0.5000  0.6968  1
  Re  Re2  1  0.0000  0.0000  0.6257  1
  O  O3  4  0.2338  0.2338  0.7429  1
  O  O4  1  0.0000  0.0000  0.2273  1
  O  O5  1  0.5000  0.5000  0.2027  1
]