data_[Li4Cu4P4O16]
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]
_cell_length_a [4.8944]
_cell_length_b [9.7627]
_cell_length_c [7.4330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiCuPO4]
_chemical_formula_sum '[Li4 Cu4 P4 O16]'
_cell_volume [351.3528]
_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  2  0.2997  0.6923  0.2169  1
  Li  Li1  2  0.3509  0.7450  0.7529  1
  Cu  Cu2  2  0.0872  0.3393  0.5405  1
  Cu  Cu3  2  0.1289  0.0022  0.0600  1
  P  P4  2  0.2291  0.3033  0.9552  1
  P  P5  2  0.2322  0.0995  0.4457  1
  O  O6  2  0.0569  0.6694  0.5924  1
  O  O7  2  0.0906  0.1620  0.9057  1
  O  O8  2  0.1069  0.3994  0.7890  1
  O  O9  2  0.1163  0.3809  0.1121  1
  O  O10  2  0.2176  0.9608  0.5449  1
  O  O11  2  0.3616  0.0859  0.2668  1
  O  O12  2  0.4057  0.2084  0.5701  1
  O  O13  2  0.4559  0.7926  0.0180  1
]