data_[Li2Cr2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1063]
_cell_length_b [6.4796]
_cell_length_c [5.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiCrPO4]
_chemical_formula_sum '[Li2 Cr2 P2 O8]'
_cell_volume [154.8016]
_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  1  0.3846  0.0000  0.6634  1.0
  Li  Li1  1  0.6802  0.5000  0.3305  1.0
  Cr  Cr2  2  0.9957  0.2599  0.9959  1.0
  P  P3  1  0.2917  0.5000  0.6283  1.0
  P  P4  1  0.7103  0.0000  0.3800  1.0
  O  O5  2  0.4596  0.3034  0.7456  1.0
  O  O6  2  0.8195  0.1953  0.2878  1.0
  O  O7  1  0.0204  0.5000  0.7078  1.0
  O  O8  1  0.1958  0.5000  0.2867  1.0
  O  O9  1  0.3803  0.0000  0.2707  1.0
  O  O10  1  0.8518  0.0000  0.7234  1.0
]