data_[Cs10Er4Br24]
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 [19.8853]
_cell_length_b [8.2786]
_cell_length_c [11.8770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Er2Br12]
_chemical_formula_sum '[Cs10 Er4 Br24]'
_cell_volume [1864.0638]
_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  4  0.1950  0.5000  0.8461  1.0
  Cs  Cs1  4  0.1994  0.5000  0.3545  1.0
  Cs  Cs2  2  0.0000  0.0000  0.5000  1.0
  Er  Er3  4  0.0000  0.2485  0.0000  1.0
  Br  Br4  8  0.1440  0.2533  0.0711  1.0
  Br  Br5  8  0.1485  0.2734  0.5772  1.0
  Br  Br6  4  0.0007  0.0000  0.1634  1.0
  Br  Br7  4  0.0010  0.5000  0.1643  1.0
]