data_[Rb8Li4Ca4Br20]
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 [Cmc2_1]
_cell_length_a [4.4517]
_cell_length_b [19.9448]
_cell_length_c [14.3918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2LiCaBr5]
_chemical_formula_sum '[Rb8 Li4 Ca4 Br20]'
_cell_volume [1277.8077]
_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  0.1049  0.6776  1.0
  Rb  Rb1  4  0.0000  0.1262  0.3185  1.0
  Li  Li2  4  0.0000  0.4376  0.4378  1.0
  Ca  Ca3  4  0.0000  0.2058  0.0228  1.0
  Br  Br4  4  0.0000  0.0598  0.0303  1.0
  Br  Br5  4  0.0000  0.2876  0.6587  1.0
  Br  Br6  4  0.0000  0.3094  0.3866  1.0
  Br  Br7  4  0.0000  0.3485  0.0033  1.0
  Br  Br8  4  0.0000  0.4978  0.2882  1.0
]