data_[Rb1As2Pb2Se6]
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-1]
_cell_length_a [7.2306]
_cell_length_b [7.9617]
_cell_length_c [9.3164]
_cell_angle_alpha [95.0659]
_cell_angle_beta [112.0246]
_cell_angle_gamma [116.7462]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbAs2(PbSe3)2]
_chemical_formula_sum '[Rb1 As2 Pb2 Se6]'
_cell_volume [422.0440]
_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  1  0.0000  0.5000  0.5000  1.0
  As  As1  2  0.1317  0.1044  0.1492  1.0
  Pb  Pb2  2  0.4113  0.8240  0.1628  1.0
  Se  Se3  2  0.0475  0.3653  0.1301  1.0
  Se  Se4  2  0.3047  0.9654  0.4208  1.0
  Se  Se5  2  0.4935  0.2199  0.1384  1.0
]