data_[Li4Cr4Mo2O12]
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 [5.2451]
_cell_length_b [9.1710]
_cell_length_c [5.2376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cr2MoO6]
_chemical_formula_sum '[Li4 Cr4 Mo2 O12]'
_cell_volume [237.1259]
_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  0.1863  0.0000  1.0
  Cr  Cr1  4  0.0000  0.3368  0.5000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.2344  0.8244  0.7158  1.0
  O  O4  4  0.2431  0.5000  0.7150  1.0
]