data_[Li4Mo2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6560]
_cell_length_b [7.2699]
_cell_length_c [12.3567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2MoBr6]
_chemical_formula_sum '[Li4 Mo2 Br12]'
_cell_volume [519.0840]
_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  0.1264  0.6332  0.1435  1.0
  Mo  Mo1  2  0.5000  0.0000  0.5000  1.0
  Br  Br2  4  0.1427  0.5486  0.7828  1.0
  Br  Br3  4  0.2471  0.1812  0.5700  1.0
  Br  Br4  4  0.4088  0.7059  0.5766  1.0
]