data_[Rb4Ba2Ca2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1385]
_cell_length_b [8.5288]
_cell_length_c [14.1484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2BaCaBr6]
_chemical_formula_sum '[Rb4 Ba2 Ca2 Br12]'
_cell_volume [807.1023]
_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  0.2246  0.5704  0.7499  1
  Ba  Ba1  2  0.5000  0.0000  0.0000  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1225  0.7150  0.4378  1
  Br  Br4  4  0.2315  0.1906  0.4437  1
  Br  Br5  4  0.3499  0.5396  0.2357  1
]