data_[Cs2Mo2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4302]
_cell_length_b [6.5886]
_cell_length_c [8.1815]
_cell_angle_alpha [67.2948]
_cell_angle_beta [83.2003]
_cell_angle_gamma [89.0731]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMoO4]
_chemical_formula_sum '[Cs2 Mo2 O8]'
_cell_volume [267.9890]
_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  2  0.3407  0.6611  0.2242  1
  Mo  Mo1  2  0.2278  0.8847  0.6533  1
  O  O2  2  0.0620  0.9395  0.3967  1
  O  O3  2  0.1303  0.6054  0.7488  1
  O  O4  2  0.2981  0.9408  0.8365  1
  O  O5  2  0.4622  0.1731  0.4651  1
]