# generated using pymatgen
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01245900
_cell_length_b   8.37727600
_cell_length_c   12.18392527
_cell_angle_alpha   77.98231938
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2O7
_chemical_formula_sum   'Li4 Cr4 P8 O28'
_cell_volume   500.39938830
_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  1  0.73127500  0.12452400  0.29852800  1
  Li  Li1  1  0.26872500  0.87547600  0.70147200  1
  Li  Li2  1  0.76872500  0.62452400  0.79852800  1
  Li  Li3  1  0.23127500  0.37547600  0.20147200  1
  Cr  Cr4  1  0.23935500  0.76245600  0.96805900  1
  Cr  Cr5  1  0.73935500  0.73754400  0.53194100  1
  Cr  Cr6  1  0.26064500  0.26245600  0.46805900  1
  Cr  Cr7  1  0.76064500  0.23754400  0.03194100  1
  P  P8  1  0.73405900  0.58071000  0.11595200  1
  P  P9  1  0.26594100  0.41929000  0.88404800  1
  P  P10  1  0.25868800  0.52692500  0.64214400  1
  P  P11  1  0.23405900  0.91929000  0.38404800  1
  P  P12  1  0.24131200  0.02692500  0.14214400  1
  P  P13  1  0.76594100  0.08071000  0.61595200  1
  P  P14  1  0.75868800  0.97307500  0.85785600  1
  P  P15  1  0.74131200  0.47307500  0.35785600  1
  O  O16  1  0.78781400  0.60626700  0.24209400  1
  O  O17  1  0.66047600  0.90597100  0.62123200  1
  O  O18  1  0.55434900  0.83200400  0.86083700  1
  O  O19  1  0.04286500  0.90812700  0.84310000  1
  O  O20  1  0.95713500  0.09187300  0.15690000  1
  O  O21  1  0.44565100  0.16799600  0.13916300  1
  O  O22  1  0.33952400  0.09402900  0.37876800  1
  O  O23  1  0.06674400  0.09504200  0.59000400  1
  O  O24  1  0.71218600  0.10626700  0.74209400  1
  O  O25  1  0.60366500  0.21289900  0.54263500  1
  O  O26  1  0.71813000  0.06468000  0.94951900  1
  O  O27  1  0.83952400  0.40597100  0.12123200  1
  O  O28  1  0.94565100  0.33200400  0.36083700  1
  O  O29  1  0.45713500  0.40812700  0.34310000  1
  O  O30  1  0.21813000  0.43532000  0.55048100  1
  O  O31  1  0.28781400  0.89373300  0.25790600  1
  O  O32  1  0.10366500  0.28710100  0.95736500  1
  O  O33  1  0.21218600  0.39373300  0.75790600  1
  O  O34  1  0.43325600  0.59504200  0.09000400  1
  O  O35  1  0.89633500  0.71289900  0.04263500  1
  O  O36  1  0.56674400  0.40495800  0.90999600  1
  O  O37  1  0.78187000  0.56468000  0.44951900  1
  O  O38  1  0.54286500  0.59187300  0.65690000  1
  O  O39  1  0.05434900  0.66799600  0.63916300  1
  O  O40  1  0.16047600  0.59402900  0.87876800  1
  O  O41  1  0.28187000  0.93532000  0.05048100  1
  O  O42  1  0.39633500  0.78710100  0.45736500  1
  O  O43  1  0.93325600  0.90495800  0.40999600  1
