data_[Li8Pa2Mn2O12]
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
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.3008]
_cell_length_b [9.4713]
_cell_length_c [5.1206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4PaMnO6]
_chemical_formula_sum '[Li8 Pa2 Mn2 O12]'
_cell_volume [245.3786]
_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  2  0.0000  0.0297  0.5000  1
  Li  Li1  2  0.0000  0.3427  0.5000  1
  Li  Li2  2  0.0000  0.5004  0.0000  1
  Li  Li3  2  0.0000  0.6380  0.5000  1
  Pa  Pa4  2  0.0000  0.8366  0.0000  1
  Mn  Mn5  2  0.0000  0.1654  0.0000  1
  O  O6  4  0.2306  0.1654  0.7717  1
  O  O7  4  0.2374  0.3230  0.2470  1
  O  O8  4  0.2430  0.0051  0.2484  1
]