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 [P2_1/c]
_cell_length_a [6.0018]
_cell_length_b [5.2648]
_cell_length_c [6.0028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiMoO2]
_chemical_formula_sum '[Li4 Mo4 O8]'
_cell_volume [170.1806]
_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  4  0.2522  0.5035  0.2483  1.0
  Mo  Mo1  4  0.2498  0.0016  0.2502  1.0
  O  O2  4  0.0857  0.7336  0.4159  1.0
  O  O3  4  0.4159  0.2329  0.5856  1.0
]