data_[Rb8Ca8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2263]
_cell_length_b [14.3777]
_cell_length_c [7.4539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCaBr3]
_chemical_formula_sum '[Rb8 Ca8 Br24]'
_cell_volume [1627.9903]
_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  0.2036  0.4019  0.8173  1
  Ca  Ca1  4  0.0000  0.0735  0.7500  1
  Ca  Ca2  4  0.0000  0.2452  0.2500  1
  Br  Br3  8  0.1033  0.0771  0.4306  1
  Br  Br4  8  0.1085  0.2044  0.9492  1
  Br  Br5  8  0.1277  0.3759  0.3763  1
]