data_[Li4Cu2P2O8]
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 [P1]
_cell_length_a [5.0679]
_cell_length_b [5.3583]
_cell_length_c [6.2381]
_cell_angle_alpha [90.3664]
_cell_angle_beta [90.0003]
_cell_angle_gamma [90.3251]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2CuPO4]
_chemical_formula_sum '[Li4 Cu2 P2 O8]'
_cell_volume [169.3934]
_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  1  0.4901  0.6749  0.2541  1.0
  Li  Li1  1  0.4913  0.6729  0.7460  1.0
  Li  Li2  1  0.4918  0.1552  0.0006  1.0
  Li  Li3  1  0.9970  0.3281  0.7517  1.0
  Cu  Cu4  1  0.0045  0.3319  0.2500  1.0
  Cu  Cu5  1  0.9989  0.8207  0.4987  1.0
  P  P6  1  0.4976  0.1785  0.5053  1.0
  P  P7  1  0.9974  0.8273  0.9949  1.0
  O  O8  1  0.3049  0.8204  0.9998  1.0
  O  O9  1  0.3869  0.3130  0.7078  1.0
  O  O10  1  0.4080  0.3121  0.2942  1.0
  O  O11  1  0.4083  0.8985  0.5016  1.0
  O  O12  1  0.8043  0.1890  0.5129  1.0
  O  O13  1  0.8794  0.6988  0.1994  1.0
  O  O14  1  0.8896  0.6791  0.7964  1.0
  O  O15  1  0.8927  0.0997  0.9864  1.0
]