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 [P2_1/m]
_cell_length_a [5.1168]
_cell_length_b [7.0093]
_cell_length_c [7.1968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiFeMoClO4]
_chemical_formula_sum '[Li2 Fe2 Mo2 Cl2 O8]'
_cell_volume [258.0082]
_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  0.5000  0.0000  0.5000  1.0
  Fe  Fe1  2  0.1787  0.2500  0.2498  1.0
  Mo  Mo2  2  0.0018  0.7500  0.2625  1.0
  Cl  Cl3  2  0.3140  0.7500  0.7234  1.0
  O  O4  4  0.2041  0.5396  0.2922  1.0
  O  O5  2  0.1490  0.2500  0.9612  1.0
  O  O6  2  0.2510  0.2500  0.5662  1.0
]