data_[Cs4Mo2Br2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.5955]
_cell_length_b [7.5955]
_cell_length_c [10.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2MoBrCl5]
_chemical_formula_sum '[Cs4 Mo2 Br2 Cl10]'
_cell_volume [609.3591]
_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  0.0000  0.5000  0.2518  1.0
  Mo  Mo1  2  0.0000  0.0000  0.0021  1.0
  Br  Br2  2  0.0000  0.0000  0.7587  1.0
  Cl  Cl3  8  0.2239  0.2239  0.0015  1.0
  Cl  Cl4  2  0.0000  0.0000  0.2297  1.0
]