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 [5.2193]
_cell_length_b [5.2456]
_cell_length_c [7.2729]
_cell_angle_alpha [103.9677]
_cell_angle_beta [108.8601]
_cell_angle_gamma [98.0905]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCuPO4F]
_chemical_formula_sum '[Li2 Cu2 P2 O8 F2]'
_cell_volume [177.5929]
_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  0.4334  0.0838  0.8072  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  1  0.5000  0.5000  0.5000  1.0
  P  P3  2  0.1161  0.4570  0.7606  1.0
  O  O4  2  0.1738  0.3036  0.9223  1.0
  O  O5  2  0.1887  0.6427  0.3923  1.0
  O  O6  2  0.2135  0.7680  0.8677  1.0
  O  O7  2  0.3219  0.3601  0.6560  1.0
  F  F8  2  0.3167  0.1034  0.2499  1.0
]