data_[Cs4Er4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.5034]
_cell_length_b [5.6271]
_cell_length_c [10.4514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsErBr4]
_chemical_formula_sum '[Cs4 Er4 Br16]'
_cell_volume [1327.8148]
_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
[
  Cs  Cs0  4  0.2459  0.0000  0.2419  1.0
  Er  Er1  4  0.0919  0.0000  0.5965  1.0
  Br  Br2  4  0.0053  0.0000  0.3245  1.0
  Br  Br3  4  0.0908  0.5000  0.5952  1.0
  Br  Br4  4  0.1739  0.0000  0.8647  1.0
  Br  Br5  4  0.1819  0.0000  0.5027  1.0
]