data_[Li2Fe2Mo2Cl2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1141]
_cell_length_b [7.0620]
_cell_length_c [7.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiFeMoClO4]
_chemical_formula_sum '[Li2 Fe2 Mo2 Cl2 O8]'
_cell_volume [257.6112]
_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  2  0.4995  0.2447  0.5043  1
  Fe  Fe1  1  0.1803  0.0000  0.2502  1
  Fe  Fe2  1  0.8190  0.5000  0.7524  1
  Mo  Mo3  1  0.0014  0.5000  0.2634  1
  Mo  Mo4  1  0.9993  0.0000  0.7355  1
  Cl  Cl5  1  0.3125  0.5000  0.7217  1
  Cl  Cl6  1  0.6865  0.0000  0.2743  1
  O  O7  2  0.2039  0.2924  0.2902  1
  O  O8  2  0.7952  0.2069  0.7054  1
  O  O9  1  0.1533  0.0000  0.9611  1
  O  O10  1  0.2510  0.0000  0.5607  1
  O  O11  1  0.7555  0.5000  0.4408  1
  O  O12  1  0.8430  0.5000  0.0380  1
]