data_[Li1Ni7O7F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1955]
_cell_length_b [2.9825]
_cell_length_c [9.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiNi7O7F]
_chemical_formula_sum '[Li1 Ni7 O7 F1]'
_cell_volume [151.3214]
_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  0.2474  0.5000  0.7285  1.0
  Ni  Ni1  1  0.2532  0.0000  0.2542  1.0
  Ni  Ni2  1  0.4948  0.5000  0.5035  1.0
  Ni  Ni3  1  0.5155  0.0000  0.0017  1.0
  Ni  Ni4  1  0.7265  0.0000  0.7441  1.0
  Ni  Ni5  1  0.7507  0.5000  0.2551  1.0
  Ni  Ni6  1  0.9988  0.0000  0.5059  1.0
  Ni  Ni7  1  0.9994  0.5000  0.0079  1.0
  O  O8  1  0.1207  0.5000  0.3739  1.0
  O  O9  1  0.3710  0.0000  0.6208  1.0
  O  O10  1  0.3734  0.5000  0.1195  1.0
  O  O11  1  0.6238  0.0000  0.3727  1.0
  O  O12  1  0.6463  0.5000  0.8817  1.0
  O  O13  1  0.8650  0.5000  0.6273  1.0
  O  O14  1  0.8809  0.0000  0.1263  1.0
  F  F15  1  0.1325  0.0000  0.8770  1.0
]