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 [P2_1/m]
_cell_length_a [6.3250]
_cell_length_b [7.7810]
_cell_length_c [8.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaBr3]
_chemical_formula_sum '[Rb2 Ca2 Br6]'
_cell_volume [398.7692]
_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  0.3334  0.2500  0.5729  1.0
  Ca  Ca1  2  0.0779  0.7500  0.9172  1.0
  Br  Br2  4  0.2627  0.0014  0.1530  1.0
  Br  Br3  2  0.2000  0.7500  0.6062  1.0
]