data_[Li4B4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2944]
_cell_length_b [7.9056]
_cell_length_c [6.3193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiBMoO4]
_chemical_formula_sum '[Li4 B4 Mo4 O16]'
_cell_volume [264.4982]
_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  0.0000  0.1661  0.2500  1.0
  B  B1  4  0.0000  0.1553  0.7500  1.0
  Mo  Mo2  4  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0000  0.2525  0.5559  1.0
  O  O4  8  0.2333  0.0371  0.7500  1.0
]