data_[Li2Cr2P6O18]
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 [P-1]
_cell_length_a [6.5809]
_cell_length_b [6.9566]
_cell_length_c [7.3416]
_cell_angle_alpha [81.2508]
_cell_angle_beta [87.8862]
_cell_angle_gamma [87.4035]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCr(PO3)3]
_chemical_formula_sum '[Li2 Cr2 P6 O18]'
_cell_volume [331.7000]
_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  0.1424  0.5546  0.1704  1
  Cr  Cr1  2  0.1585  0.0807  0.1414  1
  P  P2  2  0.1422  0.2303  0.5480  1
  P  P3  2  0.3329  0.8894  0.7742  1
  P  P4  2  0.3526  0.4539  0.7912  1
  O  O5  2  0.0458  0.7714  0.3307  1
  O  O6  2  0.1236  0.2702  0.3402  1
  O  O7  2  0.1608  0.9079  0.9198  1
  O  O8  2  0.1787  0.4047  0.9286  1
  O  O9  2  0.2646  0.0208  0.5855  1
  O  O10  2  0.3024  0.3789  0.5979  1
  O  O11  2  0.3318  0.6848  0.7087  1
  O  O12  2  0.4341  0.6033  0.1628  1
  O  O13  2  0.4630  0.0560  0.1774  1
]