data_[Ba1Re2Pb1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0445]
_cell_length_b [6.0445]
_cell_length_c [8.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaRe2PbO8]
_chemical_formula_sum '[Ba1 Re2 Pb1 O8]'
_cell_volume [255.2862]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1.0
  Re  Re1  2  0.3333  0.6667  0.2041  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  O  O3  6  0.1687  0.3374  0.2717  1.0
  O  O4  2  0.3333  0.6667  0.9832  1.0
]