data_[Cs2Ba2Mo2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8462]
_cell_length_b [6.4477]
_cell_length_c [8.1731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaMoO4]
_chemical_formula_sum '[Cs2 Ba2 Mo2 O8]'
_cell_volume [351.9564]
_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  0.2959  0.7500  0.0869  1.0
  Ba  Ba1  2  0.1972  0.7500  0.5678  1.0
  Mo  Mo2  2  0.2844  0.2500  0.3491  1.0
  O  O3  4  0.0971  0.0270  0.3269  1.0
  O  O4  2  0.4296  0.2500  0.5660  1.0
  O  O5  2  0.4315  0.2500  0.1845  1.0
]