data_[Li2Cu4P2O8]
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 [Pmn2_1]
_cell_length_a [6.1390]
_cell_length_b [5.5319]
_cell_length_c [5.1790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiCu2PO4]
_chemical_formula_sum '[Li2 Cu4 P2 O8]'
_cell_volume [175.8820]
_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  0.0000  0.3384  0.8763  1
  Cu  Cu1  4  0.2478  0.8458  0.8701  1
  P  P2  2  0.0000  0.6620  0.3750  1
  O  O3  4  0.2097  0.7988  0.4682  1
  O  O4  2  0.0000  0.4043  0.4972  1
  O  O5  2  0.0000  0.6459  0.0749  1
]