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 [Cmce]
_cell_length_a [10.8548]
_cell_length_b [16.0410]
_cell_length_c [7.0888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [RbCaCl3]
_chemical_formula_sum '[Rb8 Ca8 Cl24]'
_cell_volume [1234.3140]
_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  0.2500  0.1650  0.2500  1.0
  Ca  Ca1  8  0.0000  0.1148  0.6791  1.0
  Cl  Cl2  8  0.0000  0.0539  0.2956  1.0
  Cl  Cl3  8  0.0000  0.2377  0.9763  1.0
  Cl  Cl4  8  0.2500  0.1194  0.7500  1.0
]