data_[Ba2Li4Mo4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0992]
_cell_length_b [4.1158]
_cell_length_c [4.0471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLi2Mo2O7]
_chemical_formula_sum '[Ba2 Li4 Mo4 O14]'
_cell_volume [295.7837]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.2368  0.0000  0.2501  1.0
  Mo  Mo2  4  0.1188  0.5000  0.0833  1.0
  O  O3  4  0.1085  0.5000  0.6040  1.0
  O  O4  4  0.1143  0.0000  0.1003  1.0
  O  O5  4  0.2222  0.5000  0.2301  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
]