data_[Sb2Pb6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2787]
_cell_length_b [4.3977]
_cell_length_c [10.3231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbPb3Se]
_chemical_formula_sum '[Sb2 Pb6 Se2]'
_cell_volume [323.4254]
_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
[
  Sb  Sb0  2  0.3527  0.7500  0.8100  1
  Pb  Pb1  2  0.0381  0.2500  0.3683  1
  Pb  Pb2  2  0.2390  0.2500  0.0044  1
  Pb  Pb3  2  0.4526  0.2500  0.6263  1
  Se  Se4  2  0.1558  0.7500  0.2100  1
]