data_[Li6Cr4Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  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 [5.2746]
_cell_length_b [9.1891]
_cell_length_c [5.1595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cr2MoO6]
_chemical_formula_sum '[Li6 Cr4 Mo2 O12]'
_cell_volume [236.2631]
_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
[
  Li  Li0  4  0.0000  0.1767  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3336  0.0000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2469  0.1748  0.2272  1.0
  O  O5  4  0.2229  0.5000  0.2284  1.0
]