data_[Li2Ni2P2H2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1498]
_cell_length_b [5.4276]
_cell_length_c [7.0891]
_cell_angle_alpha [106.6050]
_cell_angle_beta [107.9595]
_cell_angle_gamma [100.1960]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNiPHO5]
_chemical_formula_sum '[Li2 Ni2 P2 H2 O10]'
_cell_volume [172.8245]
_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  0.2539  0.6089  0.1792  1.0
  Ni  Ni1  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3240  0.6380  0.7623  1.0
  H  H4  2  0.3494  0.0751  0.3448  1.0
  O  O5  2  0.1137  0.6569  0.8785  1.0
  O  O6  2  0.1482  0.9542  0.2719  1.0
  O  O7  2  0.2881  0.7882  0.6056  1.0
  O  O8  2  0.3101  0.3369  0.6563  1.0
  O  O9  2  0.3632  0.2526  0.0669  1.0
]