data_[Cs1Ag2Mo1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3032]
_cell_length_b [7.3734]
_cell_length_c [8.9959]
_cell_angle_alpha [73.5981]
_cell_angle_beta [83.1958]
_cell_angle_gamma [88.3586]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAg2MoCl8]
_chemical_formula_sum '[Cs1 Ag2 Mo1 Cl8]'
_cell_volume [398.2510]
_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  0.5000  0.5000  1.0
  Ag  Ag1  2  0.4937  0.0238  0.3101  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0803  0.0064  0.2512  1.0
  Cl  Cl4  2  0.1738  0.2892  0.8891  1.0
  Cl  Cl5  2  0.3236  0.8358  0.9650  1.0
  Cl  Cl6  2  0.4865  0.7286  0.5377  1.0
]