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 [Pc]
_cell_length_a [5.0400]
_cell_length_b [5.3961]
_cell_length_c [7.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2CuPO4]
_chemical_formula_sum '[Li4 Cu2 P2 O8]'
_cell_volume [167.3672]
_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  0.4990  0.3460  0.4997  1.0
  Li  Li1  2  0.7530  0.1732  0.2524  1.0
  Cu  Cu2  2  0.2361  0.1559  0.7473  1.0
  P  P3  2  0.9956  0.3303  0.9998  1.0
  O  O4  2  0.0947  0.3999  0.4886  1.0
  O  O5  2  0.3196  0.2039  0.2090  1.0
  O  O6  2  0.6974  0.3330  0.0105  1.0
  O  O7  2  0.8732  0.1843  0.7914  1.0
]