data_[Cs1Li2Mo1Br8]
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
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5432]
_cell_length_b [7.1793]
_cell_length_c [9.5770]
_cell_angle_alpha [87.6843]
_cell_angle_beta [79.9157]
_cell_angle_gamma [65.4776]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2MoBr8]
_chemical_formula_sum '[Cs1 Li2 Mo1 Br8]'
_cell_volume [402.7192]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Li  Li1  2  0.4324  0.5066  0.6714  1
  Mo  Mo2  1  0.0000  0.0000  0.0000  1
  Br  Br3  2  0.0366  0.7133  0.8306  1
  Br  Br4  2  0.2518  0.7250  0.1477  1
  Br  Br5  2  0.3389  0.0215  0.8588  1
  Br  Br6  2  0.3738  0.3114  0.4855  1
]