data_[Cs1Cd2Mo1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2854]
_cell_length_b [5.5959]
_cell_length_c [7.9404]
_cell_angle_alpha [79.0490]
_cell_angle_beta [80.9338]
_cell_angle_gamma [80.4775]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCd2MoF8]
_chemical_formula_sum '[Cs1 Cd2 Mo1 F8]'
_cell_volume [225.4614]
_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  1.0
  Cd  Cd1  2  0.4557  0.4551  0.7347  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1572  0.7415  0.2013  1.0
  F  F4  2  0.2199  0.7902  0.8198  1.0
  F  F5  2  0.2882  0.2286  0.9694  1.0
  F  F6  2  0.3963  0.2997  0.5048  1.0
]