data_[Rb16Bi4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.2058]
_cell_length_b [7.9084]
_cell_length_c [12.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb4BiCl]
_chemical_formula_sum '[Rb16 Bi4 Cl4]'
_cell_volume [1198.6080]
_cell_formula_units_Z [4]
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  0.1111  0.1971  0.7770  1
  Rb  Rb1  4  0.1854  0.7450  0.5470  1
  Rb  Rb2  4  0.3840  0.5085  0.8515  1
  Rb  Rb3  4  0.4086  0.0044  0.8469  1
  Bi  Bi4  4  0.3101  0.2485  0.0777  1
  Cl  Cl5  4  0.1608  0.7234  0.2906  1
]