data_[Rb2As2Pb1Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.3688]
_cell_length_b [7.3688]
_cell_length_c [7.9792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Rb2As2PbSe6]
_chemical_formula_sum '[Rb2 As2 Pb1 Se6]'
_cell_volume [375.2137]
_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
[
  Rb  Rb0  2  0.3333  0.6667  0.6289  1.0
  As  As1  2  0.3333  0.6667  0.0874  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  6  0.1363  0.7953  0.2367  1.0
]