data_[Li4Mo4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.5217]
_cell_length_b [3.1111]
_cell_length_c [4.9965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMoO2]
_chemical_formula_sum '[Li4 Mo4 O8]'
_cell_volume [161.5715]
_cell_formula_units_Z [4]
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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Mo  Mo2  4  0.2470  0.0000  0.7835  1
  O  O3  4  0.1138  0.5000  0.8586  1
  O  O4  4  0.1406  0.0000  0.3709  1
]