data_[Re8Pb2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [18.1025]
_cell_length_b [5.2695]
_cell_length_c [5.2811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Re4PbSe7]
_chemical_formula_sum '[Re8 Pb2 Se14]'
_cell_volume [503.7640]
_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
[
  Re  Re0  4  0.1386  0.3274  0.4034  1
  Re  Re1  4  0.2414  0.3694  0.0292  1
  Pb  Pb2  2  0.0000  0.8681  0.9366  1
  Se  Se3  4  0.1036  0.3286  0.9540  1
  Se  Se4  4  0.1271  0.7883  0.5108  1
  Se  Se5  4  0.2439  0.8283  0.0807  1
  Se  Se6  2  0.0000  0.2003  0.4525  1
]