data_[Li7Co1O3F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3125]
_cell_length_b [5.6219]
_cell_length_c [5.7813]
_cell_angle_alpha [64.5132]
_cell_angle_beta [68.8549]
_cell_angle_gamma [63.1805]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li7Co(OF)3]
_chemical_formula_sum '[Li7 Co1 O3 F3]'
_cell_volume [136.0901]
_cell_formula_units_Z [1]
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  1  0.1168  0.7781  0.6024  1
  Li  Li1  1  0.3859  0.3167  0.9801  1
  Li  Li2  1  0.4551  0.1367  0.6366  1
  Li  Li3  1  0.5137  0.8919  0.3728  1
  Li  Li4  1  0.5913  0.7446  0.0120  1
  Li  Li5  1  0.7898  0.4546  0.6629  1
  Li  Li6  1  0.8920  0.2258  0.3409  1
  Co  Co7  1  0.0564  0.9202  0.9926  1
  O  O8  1  0.2254  0.9575  0.2185  1
  O  O9  1  0.4230  0.7470  0.7550  1
  O  O10  1  0.7776  0.0785  0.7604  1
  F  F11  1  0.1174  0.4146  0.7464  1
  F  F12  1  0.5683  0.2367  0.2654  1
  F  F13  1  0.8470  0.6031  0.2671  1
]