data_[Sr2Li2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [5.0837]
_cell_length_b [5.0837]
_cell_length_c [8.4413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [SrLiPO4]
_chemical_formula_sum '[Sr2 Li2 P2 O8]'
_cell_volume [188.9321]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0169  1.0
  Li  Li1  2  0.3333  0.6667  0.3252  1.0
  P  P2  2  0.3333  0.6667  0.7288  1.0
  O  O3  6  0.0590  0.3622  0.7851  1.0
  O  O4  2  0.3333  0.6667  0.5453  1.0
]