data_[Rb4Ca2Pb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4994]
_cell_length_b [8.9453]
_cell_length_c [14.9273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2CaPbI6]
_chemical_formula_sum '[Rb4 Ca2 Pb2 I12]'
_cell_volume [932.4678]
_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
[
  Rb  Rb0  4  0.2203  0.0816  0.2496  1.0
  Ca  Ca1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1354  0.2017  0.9471  1.0
  I  I4  4  0.2510  0.6936  0.9479  1.0
  I  I5  4  0.3519  0.0228  0.7456  1.0
]