data_[Rb8Ca8Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1092]
_cell_length_b [14.3063]
_cell_length_c [7.0725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCaCl3]
_chemical_formula_sum '[Rb8 Ca8 Cl24]'
_cell_volume [1325.2765]
_cell_formula_units_Z [8]
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  8  0.1643  0.4095  0.6272  1.0
  Ca  Ca1  4  0.0000  0.0735  0.7500  1.0
  Ca  Ca2  4  0.0000  0.2297  0.2500  1.0
  Cl  Cl3  8  0.0908  0.3695  0.0630  1.0
  Cl  Cl4  8  0.1111  0.0732  0.0923  1.0
  Cl  Cl5  8  0.1247  0.1890  0.5621  1.0
]