data_[Rb8Na4Ca4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5204]
_cell_length_b [19.2625]
_cell_length_c [15.4222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2NaCaBr5]
_chemical_formula_sum '[Rb8 Na4 Ca4 Br20]'
_cell_volume [1342.8706]
_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  0.0000  0.0898  0.6616  1.0
  Rb  Rb1  4  0.0000  0.1361  0.3020  1.0
  Na  Na2  4  0.0000  0.4579  0.4505  1.0
  Ca  Ca3  4  0.0000  0.2194  0.0247  1.0
  Br  Br4  4  0.0000  0.0711  0.0569  1.0
  Br  Br5  4  0.0000  0.2689  0.6534  1.0
  Br  Br6  4  0.0000  0.3021  0.4028  1.0
  Br  Br7  4  0.0000  0.3678  0.9929  1.0
  Br  Br8  4  0.0000  0.4977  0.7791  1.0
]