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 [Pmn2_1]
_cell_length_a [6.2142]
_cell_length_b [5.2947]
_cell_length_c [5.0507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuPO4]
_chemical_formula_sum '[Li4 Cu2 P2 O8]'
_cell_volume [166.1809]
_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  4  0.2494  0.6780  0.4988  1.0
  Cu  Cu1  2  0.0000  0.7990  0.9917  1.0
  P  P2  2  0.0000  0.1782  0.5046  1.0
  O  O3  4  0.2023  0.3192  0.3908  1.0
  O  O4  2  0.0000  0.1958  0.8109  1.0
  O  O5  2  0.0000  0.8969  0.4136  1.0
]