data_[Li8Cu4P8O28]
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 [P2_1/c]
_cell_length_a [5.0127]
_cell_length_b [13.3192]
_cell_length_c [9.2077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2CuP2O7]
_chemical_formula_sum '[Li8 Cu4 P8 O28]'
_cell_volume [538.6623]
_cell_formula_units_Z [4]
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  4  0.0476  0.6120  0.3647  1
  Li  Li1  4  0.4311  0.7041  0.1733  1
  Cu  Cu2  4  0.0504  0.6494  0.7551  1
  P  P3  4  0.2540  0.1703  0.5276  1
  P  P4  4  0.4836  0.0246  0.7782  1
  O  O5  4  0.0104  0.6782  0.1473  1
  O  O6  4  0.1828  0.2212  0.6569  1
  O  O7  4  0.2340  0.0318  0.8308  1
  O  O8  4  0.2690  0.6076  0.6350  1
  O  O9  4  0.3105  0.0528  0.5796  1
  O  O10  4  0.3853  0.0785  0.2093  1
  O  O11  4  0.4412  0.7094  0.9539  1
]