data_[Rb4Li4Ca2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3279]
_cell_length_b [7.9978]
_cell_length_c [8.4384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Li2CaBr6]
_chemical_formula_sum '[Rb4 Li4 Ca2 Br12]'
_cell_volume [801.7119]
_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  0.2087  0.5000  0.1675  1.0
  Li  Li1  4  0.0604  0.0000  0.2734  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.0524  0.2533  0.7864  1.0
  Br  Br4  4  0.2377  0.5000  0.5945  1.0
]