data_[Li6Pb2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3995]
_cell_length_b [5.4397]
_cell_length_c [6.0694]
_cell_angle_alpha [71.8868]
_cell_angle_beta [89.0863]
_cell_angle_gamma [80.3962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li6Pb2O7]
_chemical_formula_sum '[Li6 Pb2 O7]'
_cell_volume [166.9362]
_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  0.1213  0.3285  0.6781  1
  Li  Li1  2  0.1280  0.2782  0.1683  1
  Li  Li2  2  0.4373  0.7394  0.5637  1
  Pb  Pb3  2  0.3604  0.7508  0.0729  1
  O  O4  2  0.2356  0.4971  0.3753  1
  O  O5  2  0.2555  0.5177  0.8643  1
  O  O6  2  0.4883  0.0074  0.2493  1
  O  O7  1  0.0000  0.0000  0.0000  1
]