data_[Li2Cu2P2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0995]
_cell_length_b [5.5789]
_cell_length_c [7.6252]
_cell_angle_alpha [108.2894]
_cell_angle_beta [108.6796]
_cell_angle_gamma [94.0329]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCuPO4F]
_chemical_formula_sum '[Li2 Cu2 P2 O8 F2]'
_cell_volume [191.5721]
_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  0.2608  0.5409  0.3189  1
  Cu  Cu1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3451  0.7393  0.7495  1
  O  O4  2  0.1232  0.7237  0.8505  1
  O  O5  2  0.2944  0.4794  0.5860  1
  O  O6  2  0.3320  0.9701  0.6756  1
  O  O7  2  0.3474  0.2225  0.1026  1
  F  F8  2  0.1113  0.8424  0.2959  1
]