data_[Rb2Ca2Br6]
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 [Pmc2_1]
_cell_length_a [5.8098]
_cell_length_b [7.9442]
_cell_length_c [7.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [RbCaBr3]
_chemical_formula_sum '[Rb2 Ca2 Br6]'
_cell_volume [365.8198]
_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  2  0.5000  0.2418  0.8734  1.0
  Ca  Ca1  2  0.0000  0.2499  0.3654  1.0
  Br  Br2  2  0.0000  0.0628  0.6773  1.0
  Br  Br3  2  0.0000  0.4345  0.0509  1.0
  Br  Br4  2  0.5000  0.2499  0.3651  1.0
]