data_[Li4Cu1P2O8]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6835]
_cell_length_b [5.7873]
_cell_length_c [5.8861]
_cell_angle_alpha [95.6647]
_cell_angle_beta [96.5549]
_cell_angle_gamma [98.9289]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Cu(PO4)2]
_chemical_formula_sum '[Li4 Cu1 P2 O8]'
_cell_volume [155.4713]
_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  2  0.1813  0.2701  0.5905  1.0
  Li  Li1  2  0.2143  0.5121  0.1689  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  P  P3  2  0.3657  0.7752  0.7120  1.0
  O  O4  2  0.2356  0.5838  0.8559  1.0
  O  O5  2  0.2561  0.6987  0.4558  1.0
  O  O6  2  0.2765  0.0190  0.7851  1.0
  O  O7  2  0.2923  0.2005  0.2551  1.0
]