data_[Li1Cu5P2O8]
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 [Pm]
_cell_length_a [5.1623]
_cell_length_b [6.2116]
_cell_length_c [5.6780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiCu5(PO4)2]
_chemical_formula_sum '[Li1 Cu5 P2 O8]'
_cell_volume [181.8136]
_cell_formula_units_Z [1]
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  0.4798  0.0000  0.8551  1
  Cu  Cu1  2  0.5579  0.2960  0.3495  1
  Cu  Cu2  2  0.9707  0.2835  0.6205  1
  Cu  Cu3  1  0.0645  0.5000  0.2502  1
  P  P4  1  0.0016  0.0000  0.1503  1
  P  P5  1  0.4807  0.5000  0.8287  1
  O  O6  2  0.1222  0.1961  0.2950  1
  O  O7  2  0.5668  0.2879  0.7031  1
  O  O8  1  0.0934  0.0000  0.8959  1
  O  O9  1  0.1820  0.5000  0.8475  1
  O  O10  1  0.6196  0.5000  0.0777  1
  O  O11  1  0.7009  0.0000  0.1585  1
]