data_[Cs2Li2Ca2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [7.0637]
_cell_length_b [7.4956]
_cell_length_c [9.8629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiCaBr4]
_chemical_formula_sum '[Cs2 Li2 Ca2 Br8]'
_cell_volume [489.0543]
_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
[
  Cs  Cs0  2  0.2575  0.2500  0.0550  1.0
  Li  Li1  2  0.2306  0.7500  0.3329  1.0
  Ca  Ca2  2  0.2127  0.2500  0.5490  1.0
  Br  Br3  4  0.0208  0.5016  0.6968  1.0
  Br  Br4  2  0.4308  0.7500  0.1699  1.0
  Br  Br5  2  0.4798  0.7500  0.5776  1.0
]