data_[Li3Mg3Pa6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5734]
_cell_length_b [5.5734]
_cell_length_c [15.4546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiMgPa2O6]
_chemical_formula_sum '[Li3 Mg3 Pa6 O18]'
_cell_volume [415.7396]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4502  1
  Mg  Mg1  3  0.0000  0.0000  0.0004  1
  Pa  Pa2  3  0.0000  0.0000  0.2032  1
  Pa  Pa3  3  0.0000  0.0000  0.6988  1
  O  O4  9  0.0029  0.3256  0.6134  1
  O  O5  9  0.0407  0.6726  0.7693  1
]